2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine

C19H31NO — CID 63523515

IUPAC2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(CC(CNC(C)C)CC2CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)20-14-18(12-16-6-4-5-7-16)13-17-8-10-19(21-3)11-9-17/h8-11,15-16,18,20H,4-7,12-14H2,1-3H3
InChIKeyXRUDMPRWVGFWOO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds8

About 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine

2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 63523515) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID63523515
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(CC(CNC(C)C)CC2CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)20-14-18(12-16-6-4-5-7-16)13-17-8-10-19(21-3)11-9-17/h8-11,15-16,18,20H,4-7,12-14H2,1-3H3
InChIKeyXRUDMPRWVGFWOO-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
CID 66042501
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
2-[(4-chlorophenyl)methyl]-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62515572
1-[2-(bromomethyl)-4-cyclopentylbutyl]-4-methoxybenzene
CID 114193331
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 12779941
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
1-cyclohexyl-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63476458

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine (CID 63523515) is 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine is COc1ccc(CC(CNC(C)C)CC2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is XRUDMPRWVGFWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)20-14-18(12-16-6-4-5-7-16)13-17-8-10-19(21-3)11-9-17/h8-11,15-16,18,20H,4-7,12-14H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63523515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).