1-(4-bromoanilino)-3-cyclopentylpropan-2-ol

C14H20BrNO — CID 103157119

IUPAC1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
SMILESOC(CNc1ccc(Br)cc1)CC1CCCC1
InChIInChI=1S/C14H20BrNO/c15-12-5-7-13(8-6-12)16-10-14(17)9-11-3-1-2-4-11/h5-8,11,14,16-17H,1-4,9-10H2
InChIKeyCBIRVJNGYYOMPL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol

1-(4-bromoanilino)-3-cyclopentylpropan-2-ol (PubChem CID 103157119) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
PubChem CID103157119
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
SMILESOC(CNc1ccc(Br)cc1)CC1CCCC1
InChIInChI=1S/C14H20BrNO/c15-12-5-7-13(8-6-12)16-10-14(17)9-11-3-1-2-4-11/h5-8,11,14,16-17H,1-4,9-10H2
InChIKeyCBIRVJNGYYOMPL-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
CID 103157168
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
CID 103157568
1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
CID 103157053
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
1-(4-bromo-2,5-difluoroanilino)-3-cyclopentylpropan-2-ol
CID 107611038
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol (CID 103157119) is 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol is OC(CNc1ccc(Br)cc1)CC1CCCC1.
What is the InChIKey of 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol?
The InChIKey is CBIRVJNGYYOMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-12-5-7-13(8-6-12)16-10-14(17)9-11-3-1-2-4-11/h5-8,11,14,16-17H,1-4,9-10H2.
What are the key properties of 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol?
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol has a molecular weight of 298.22 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103157119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).