N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine

C14H22ClNO — CID 62117809

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-6-13(5-2)16-10-11-9-12(15)7-8-14(11)17-3/h7-9,13,16H,4-6,10H2,1-3H3
InChIKeyOCORNXWJEUZGRX-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.02
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine

N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine (PubChem CID 62117809) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
PubChem CID62117809
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-6-13(5-2)16-10-11-9-12(15)7-8-14(11)17-3/h7-9,13,16H,4-6,10H2,1-3H3
InChIKeyOCORNXWJEUZGRX-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-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-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65026055
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61036792
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine (CID 62117809) is N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine is CCCC(CC)NCc1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine?
The InChIKey is OCORNXWJEUZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-13(5-2)16-10-11-9-12(15)7-8-14(11)17-3/h7-9,13,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine has a molecular weight of 255.79 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine is sourced from PubChem (CID 62117809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).