N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine

C19H31NO — CID 63501845

IUPACN-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1OC)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-4-13-20-19(16-9-7-5-6-8-10-16)17-14-15(2)11-12-18(17)21-3/h11-12,14,16,19-20H,4-10,13H2,1-3H3
InChIKeyYDJSHHJKYHXPOC-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.01
Rot. Bonds6

About N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine

N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine (PubChem CID 63501845) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
PubChem CID63501845
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1OC)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-4-13-20-19(16-9-7-5-6-8-10-16)17-14-15(2)11-12-18(17)21-3/h11-12,14,16,19-20H,4-10,13H2,1-3H3
InChIKeyYDJSHHJKYHXPOC-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-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-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[(2-methoxy-5-methylphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626306
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine (CID 63501845) is N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccc1OC)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is YDJSHHJKYHXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-19(16-9-7-5-6-8-10-16)17-14-15(2)11-12-18(17)21-3/h11-12,14,16,19-20H,4-10,13H2,1-3H3.
What are the key properties of N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63501845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).