1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol

C14H19Br2NO — CID 103157464

IUPAC1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
SMILESOC(CNc1cc(Br)ccc1Br)CC1CCCC1
InChIInChI=1S/C14H19Br2NO/c15-11-5-6-13(16)14(8-11)17-9-12(18)7-10-3-1-2-4-10/h5-6,8,10,12,17-18H,1-4,7,9H2
InChIKeyFNRXQSWGAMZHFW-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.56
Rot. Bonds5

About 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol

1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol (PubChem CID 103157464) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
PubChem CID103157464
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
SMILESOC(CNc1cc(Br)ccc1Br)CC1CCCC1
InChIInChI=1S/C14H19Br2NO/c15-11-5-6-13(16)14(8-11)17-9-12(18)7-10-3-1-2-4-10/h5-6,8,10,12,17-18H,1-4,7,9H2
InChIKeyFNRXQSWGAMZHFW-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
1-(4-bromo-2,5-difluoroanilino)-3-cyclopentylpropan-2-ol
CID 107611038
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
CID 103157168
2,5-dibromo-N-(2,2-difluoroethyl)aniline
CID 61467186
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158833
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol (CID 103157464) is 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol is OC(CNc1cc(Br)ccc1Br)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol?
The InChIKey is FNRXQSWGAMZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c15-11-5-6-13(16)14(8-11)17-9-12(18)7-10-3-1-2-4-10/h5-6,8,10,12,17-18H,1-4,7,9H2.
What are the key properties of 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol?
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol has a molecular weight of 377.12 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol is sourced from PubChem (CID 103157464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).