(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine

C22H29NO2 — CID 70301539

IUPAC(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2cccc(C)c2)cc1OC1CCCC1
InChIInChI=1S/C22H29NO2/c1-16-7-6-8-19(13-16)17(2)23-15-18-11-12-21(24-3)22(14-18)25-20-9-4-5-10-20/h6-8,11-14,17,20,23H,4-5,9-10,15H2,1-3H3/t17-/m1/s1
InChIKeyORQYOVIQAKRUTQ-QGZVFWFLSA-N
MW339.48 g/mol
LogP5.18
Rot. Bonds7

About (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 70301539) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID70301539
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2cccc(C)c2)cc1OC1CCCC1
InChIInChI=1S/C22H29NO2/c1-16-7-6-8-19(13-16)17(2)23-15-18-11-12-21(24-3)22(14-18)25-20-9-4-5-10-20/h6-8,11-14,17,20,23H,4-5,9-10,15H2,1-3H3/t17-/m1/s1
InChIKeyORQYOVIQAKRUTQ-QGZVFWFLSA-N
XLogP5.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine 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

(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 70301539) is (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine is COc1ccc(CN[C@H](C)c2cccc(C)c2)cc1OC1CCCC1.
What is the InChIKey of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is ORQYOVIQAKRUTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16-7-6-8-19(13-16)17(2)23-15-18-11-12-21(24-3)22(14-18)25-20-9-4-5-10-20/h6-8,11-14,17,20,23H,4-5,9-10,15H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 339.48 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 70301539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).