3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol

C14H22BrNO — CID 113262006

IUPAC3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
SMILESCCC(NC(C)C(C)CO)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-4-14(16-11(3)10(2)9-17)12-6-5-7-13(15)8-12/h5-8,10-11,14,16-17H,4,9H2,1-3H3
InChIKeyVMTWKHXUWUHLGE-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.51
Rot. Bonds6

About 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol

3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol (PubChem CID 113262006) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
PubChem CID113262006
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
SMILESCCC(NC(C)C(C)CO)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-4-14(16-11(3)10(2)9-17)12-6-5-7-13(15)8-12/h5-8,10-11,14,16-17H,4,9H2,1-3H3
InChIKeyVMTWKHXUWUHLGE-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
CID 115894663
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-[1-(3-bromophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454370
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
N-[1-(3-bromophenyl)propyl]pent-4-yn-2-amine
CID 115725334

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol (CID 113262006) is 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol is CCC(NC(C)C(C)CO)c1cccc(Br)c1.
What is the InChIKey of 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol?
The InChIKey is VMTWKHXUWUHLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(16-11(3)10(2)9-17)12-6-5-7-13(15)8-12/h5-8,10-11,14,16-17H,4,9H2,1-3H3.
What are the key properties of 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol?
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol has a molecular weight of 300.24 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 113262006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).