1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol

C14H22BrNO — CID 114877278

IUPAC1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol
SMILESCCC(C)CC(O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-10(2)8-14(17)13(9-16)11-4-6-12(15)7-5-11/h4-7,10,13-14,17H,3,8-9,16H2,1-2H3
InChIKeyXXBJNTUMFZKBRW-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.29
Rot. Bonds6

About 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol

1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol (PubChem CID 114877278) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol
PubChem CID114877278
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol
SMILESCCC(C)CC(O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-10(2)8-14(17)13(9-16)11-4-6-12(15)7-5-11/h4-7,10,13-14,17H,3,8-9,16H2,1-2H3
InChIKeyXXBJNTUMFZKBRW-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(4-bromophenyl)-4-ethylhexan-3-ol
CID 65186016
1-amino-2-(4-bromophenyl)-4-methylheptan-3-ol
CID 65186020
1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114877285
1-bromo-4-(1-chloro-3-methylpentyl)benzene
CID 114875996
2-(4-bromophenyl)-2-(2-methylbutylsulfanyl)ethanamine
CID 107749006
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
2-(4-bromophenyl)-4-methylhexanoic acid
CID 79440321
1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65187810
3-amino-2-(4-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65186501
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
CID 65186446

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol?
The IUPAC name of 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol (CID 114877278) is 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol.
What is the SMILES notation for 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol?
The canonical SMILES for 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol is CCC(C)CC(O)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol?
The InChIKey is XXBJNTUMFZKBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-10(2)8-14(17)13(9-16)11-4-6-12(15)7-5-11/h4-7,10,13-14,17H,3,8-9,16H2,1-2H3.
What are the key properties of 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol?
1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol has a molecular weight of 300.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol is sourced from PubChem (CID 114877278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).