1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol

C16H24BrNO2 — CID 62619701

IUPAC1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCN(CCC(O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C16H24BrNO2/c17-14-5-3-4-13(12-14)16(20)8-9-18(10-11-19)15-6-1-2-7-15/h3-5,12,15-16,19-20H,1-2,6-11H2
InChIKeyRBJBWHKFCBRISL-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.11
Rot. Bonds7

About 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol

1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 62619701) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
PubChem CID62619701
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCN(CCC(O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C16H24BrNO2/c17-14-5-3-4-13(12-14)16(20)8-9-18(10-11-19)15-6-1-2-7-15/h3-5,12,15-16,19-20H,1-2,6-11H2
InChIKeyRBJBWHKFCBRISL-UHFFFAOYSA-N
XLogP3.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62618661
3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
CID 102871167
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
CID 111490042

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol (CID 62619701) is 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol is OCCN(CCC(O)c1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is RBJBWHKFCBRISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c17-14-5-3-4-13(12-14)16(20)8-9-18(10-11-19)15-6-1-2-7-15/h3-5,12,15-16,19-20H,1-2,6-11H2.
What are the key properties of 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 342.28 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 62619701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).