2-amino-1-(3-bromophenyl)butan-1-ol

C10H14BrNO — CID 43566135

IUPAC2-amino-1-(3-bromophenyl)butan-1-ol
SMILESCCC(N)C(O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-2-9(12)10(13)7-4-3-5-8(11)6-7/h3-6,9-10,13H,2,12H2,1H3
InChIKeyINXCPIBQZHVOJV-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-1-(3-bromophenyl)butan-1-ol

2-amino-1-(3-bromophenyl)butan-1-ol (PubChem CID 43566135) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-amino-1-(3-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-bromophenyl)butan-1-ol
PubChem CID43566135
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-amino-1-(3-bromophenyl)butan-1-ol
SMILESCCC(N)C(O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-2-9(12)10(13)7-4-3-5-8(11)6-7/h3-6,9-10,13H,2,12H2,1H3
InChIKeyINXCPIBQZHVOJV-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-(3-aminophenyl)butan-1-ol
CID 131093419
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
2-(3-bromophenyl)pentan-3-ol
CID 79298699
2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
CID 81436992
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
1-(3-bromophenyl)-1-(2-methylpropylsulfanyl)butan-2-amine
CID 55018251
1-(3-bromophenyl)butan-1-ol
CID 18417756

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromophenyl)butan-1-ol?
The IUPAC name of 2-amino-1-(3-bromophenyl)butan-1-ol (CID 43566135) is 2-amino-1-(3-bromophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(3-bromophenyl)butan-1-ol?
The canonical SMILES for 2-amino-1-(3-bromophenyl)butan-1-ol is CCC(N)C(O)c1cccc(Br)c1.
What is the InChIKey of 2-amino-1-(3-bromophenyl)butan-1-ol?
The InChIKey is INXCPIBQZHVOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-9(12)10(13)7-4-3-5-8(11)6-7/h3-6,9-10,13H,2,12H2,1H3.
What are the key properties of 2-amino-1-(3-bromophenyl)butan-1-ol?
2-amino-1-(3-bromophenyl)butan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromophenyl)butan-1-ol is sourced from PubChem (CID 43566135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).