N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine

C17H27NO — CID 100558124

IUPACN-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CN[C@H](C)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-18-14(3)15-8-10-17(11-9-15)19-16-6-4-5-7-16/h8-11,13-14,16,18H,4-7,12H2,1-3H3/t14-/m1/s1
InChIKeyUTYADQMXGXDKOO-CQSZACIVSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds6

About N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine

N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 100558124) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID100558124
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CN[C@H](C)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-18-14(3)15-8-10-17(11-9-15)19-16-6-4-5-7-16/h8-11,13-14,16,18H,4-7,12H2,1-3H3/t14-/m1/s1
InChIKeyUTYADQMXGXDKOO-CQSZACIVSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64745947
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine (CID 100558124) is N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine is CC(C)CN[C@H](C)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is UTYADQMXGXDKOO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-18-14(3)15-8-10-17(11-9-15)19-16-6-4-5-7-16/h8-11,13-14,16,18H,4-7,12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine?
N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 100558124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).