N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine

C15H23F2NO — CID 106007636

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H23F2NO/c1-12(2)19-9-4-3-8-18-11-13-6-5-7-14(10-13)15(16)17/h5-7,10,12,15,18H,3-4,8-9,11H2,1-2H3
InChIKeyFZRFBPAHLUCLCV-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.92
Rot. Bonds9

About N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine

N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 106007636) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
PubChem CID106007636
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H23F2NO/c1-12(2)19-9-4-3-8-18-11-13-6-5-7-14(10-13)15(16)17/h5-7,10,12,15,18H,3-4,8-9,11H2,1-2H3
InChIKeyFZRFBPAHLUCLCV-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[(3-chloro-4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106833872
N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78816669
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
CID 115526613
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
N-[[3-(difluoromethyl)phenyl]methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 113328744
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 115525877
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 106009810

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine (CID 106007636) is N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine is CC(C)OCCCCNCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is FZRFBPAHLUCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-12(2)19-9-4-3-8-18-11-13-6-5-7-14(10-13)15(16)17/h5-7,10,12,15,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 106007636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).