N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine

C17H27NO — CID 132649569

IUPACN-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C17H27NO/c1-4-13(2)18-14(3)15-8-7-11-17(12-15)19-16-9-5-6-10-16/h7-8,11-14,16,18H,4-6,9-10H2,1-3H3
InChIKeyLJFVIBXMVNDQFF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine

N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine (PubChem CID 132649569) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
PubChem CID132649569
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C17H27NO/c1-4-13(2)18-14(3)15-8-7-11-17(12-15)19-16-9-5-6-10-16/h7-8,11-14,16,18H,4-6,9-10H2,1-3H3
InChIKeyLJFVIBXMVNDQFF-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
CID 115705702
(2S)-N-[(1S)-1-(3-propoxyphenyl)ethyl]butan-2-amine
CID 100557187
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
CID 146353248
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine (CID 132649569) is N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine is CCC(C)NC(C)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine?
The InChIKey is LJFVIBXMVNDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13(2)18-14(3)15-8-7-11-17(12-15)19-16-9-5-6-10-16/h7-8,11-14,16,18H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine?
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 132649569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).