N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine

C17H27NO — CID 43775517

IUPACN-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-13-16-5-3-4-6-16)7-8-15-9-11-17(19-2)12-10-15/h9-12,14,16,18H,3-8,13H2,1-2H3
InChIKeyDPYUMYHCAKWDGT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds7

About N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine

N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 43775517) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
PubChem CID43775517
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-13-16-5-3-4-6-16)7-8-15-9-11-17(19-2)12-10-15/h9-12,14,16,18H,3-8,13H2,1-2H3
InChIKeyDPYUMYHCAKWDGT-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-(oxan-3-ylmethyl)butan-2-amine
CID 61020032
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 81027041
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
CID 104862000

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine (CID 43775517) is N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NCC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is DPYUMYHCAKWDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(18-13-16-5-3-4-6-16)7-8-15-9-11-17(19-2)12-10-15/h9-12,14,16,18H,3-8,13H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 43775517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).