1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol

C16H26BrNO — CID 107151396

IUPAC1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
SMILESCCC(NCC(O)CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO/c1-5-15(12-6-8-13(17)9-7-12)18-11-14(19)10-16(2,3)4/h6-9,14-15,18-19H,5,10-11H2,1-4H3
InChIKeyUSSBJVZGURDFEL-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.29
Rot. Bonds6

About 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol

1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107151396) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
PubChem CID107151396
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
SMILESCCC(NCC(O)CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrNO/c1-5-15(12-6-8-13(17)9-7-12)18-11-14(19)10-16(2,3)4/h6-9,14-15,18-19H,5,10-11H2,1-4H3
InChIKeyUSSBJVZGURDFEL-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
CID 79548028
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
1-(4-bromophenyl)-N-(2-methylsulfinylpropyl)propan-1-amine
CID 115896261
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol (CID 107151396) is 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol is CCC(NCC(O)CC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is USSBJVZGURDFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-15(12-6-8-13(17)9-7-12)18-11-14(19)10-16(2,3)4/h6-9,14-15,18-19H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol?
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 328.29 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).