N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine

C22H22F3NO — CID 171924027

IUPACN-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine
SMILESCc1ccc2ccccc2c1CN(O)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3NO/c1-16-11-12-18-8-2-3-10-20(18)21(16)15-26(27)13-5-7-17-6-4-9-19(14-17)22(23,24)25/h2-4,6,8-12,14,27H,5,7,13,15H2,1H3
InChIKeyVFWDYDZVPFTAPH-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.99
Rot. Bonds6

About N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine

N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine (PubChem CID 171924027) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine
PubChem CID171924027
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine
SMILESCc1ccc2ccccc2c1CN(O)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3NO/c1-16-11-12-18-8-2-3-10-20(18)21(16)15-26(27)13-5-7-17-6-4-9-19(14-17)22(23,24)25/h2-4,6,8-12,14,27H,5,7,13,15H2,1H3
InChIKeyVFWDYDZVPFTAPH-UHFFFAOYSA-N
XLogP5.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 123366588
N-(naphthalen-1-ylmethyl)-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 87397781
N-[(1R)-1-naphthalen-1-ylethyl]-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 46234196
N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
CID 174834815
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-(2-naphthalen-1-ylethyl)-4-nitro-N-[3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
CID 67083660
6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
CID 56695197
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine?
The IUPAC name of N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine (CID 171924027) is N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine.
What is the SMILES notation for N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine?
The canonical SMILES for N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine is Cc1ccc2ccccc2c1CN(O)CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine?
The InChIKey is VFWDYDZVPFTAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO/c1-16-11-12-18-8-2-3-10-20(18)21(16)15-26(27)13-5-7-17-6-4-9-19(14-17)22(23,24)25/h2-4,6,8-12,14,27H,5,7,13,15H2,1H3.
What are the key properties of N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine?
N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine has a molecular weight of 373.42 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylnaphthalen-1-yl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine is sourced from PubChem (CID 171924027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).