N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

C16H25Cl2NO — CID 4722977

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1c(Cl)cc(Cl)cc1CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H25Cl2NO/c1-15(2,3)10-16(4,5)19-9-11-7-12(17)8-13(18)14(11)20-6/h7-8,19H,9-10H2,1-6H3
InChIKeyIAMIPHQTEDGGGY-UHFFFAOYSA-N
MW318.29 g/mol
LogP5.31
Rot. Bonds5

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 4722977) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID4722977
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1c(Cl)cc(Cl)cc1CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H25Cl2NO/c1-15(2,3)10-16(4,5)19-9-11-7-12(17)8-13(18)14(11)20-6/h7-8,19H,9-10H2,1-6H3
InChIKeyIAMIPHQTEDGGGY-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.29
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine 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-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 17158474
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (CID 4722977) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is COc1c(Cl)cc(Cl)cc1CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is IAMIPHQTEDGGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-15(2,3)10-16(4,5)19-9-11-7-12(17)8-13(18)14(11)20-6/h7-8,19H,9-10H2,1-6H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 318.29 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 4722977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).