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

C22H29NO2 — CID 24955185

IUPAC(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1OC1CCCC1
InChIInChI=1S/C22H29NO2/c1-16-8-11-19(12-9-16)17(2)23-15-18-10-13-21(24-3)22(14-18)25-20-6-4-5-7-20/h8-14,17,20,23H,4-7,15H2,1-3H3/t17-/m1/s1
InChIKeyNJULOXUTWIQXCC-QGZVFWFLSA-N
MW339.48 g/mol
LogP5.18
Rot. Bonds7

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

(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 24955185) 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-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID24955185
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1OC1CCCC1
InChIInChI=1S/C22H29NO2/c1-16-8-11-19(12-9-16)17(2)23-15-18-10-13-21(24-3)22(14-18)25-20-6-4-5-7-20/h8-14,17,20,23H,4-7,15H2,1-3H3/t17-/m1/s1
InChIKeyNJULOXUTWIQXCC-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

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Related Compounds

(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 70301539
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpropanenitrile
CID 70064225

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 24955185) is (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine is COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1OC1CCCC1.
What is the InChIKey of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is NJULOXUTWIQXCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16-8-11-19(12-9-16)17(2)23-15-18-10-13-21(24-3)22(14-18)25-20-6-4-5-7-20/h8-14,17,20,23H,4-7,15H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-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-(4-methylphenyl)ethanamine is sourced from PubChem (CID 24955185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).