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

C13H20BrNO — CID 65103778

IUPAC1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
SMILESCCC(NCC(C)(C)O)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-12(15-9-13(2,3)16)10-6-5-7-11(14)8-10/h5-8,12,15-16H,4,9H2,1-3H3
InChIKeyNHCZXQSTVHMBRM-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds5

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

1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol (PubChem CID 65103778) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
PubChem CID65103778
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
SMILESCCC(NCC(C)(C)O)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-12(15-9-13(2,3)16)10-6-5-7-11(14)8-10/h5-8,12,15-16H,4,9H2,1-3H3
InChIKeyNHCZXQSTVHMBRM-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904398
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767790
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol
CID 113262546
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol (CID 65103778) is 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol is CCC(NCC(C)(C)O)c1cccc(Br)c1.
What is the InChIKey of 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol?
The InChIKey is NHCZXQSTVHMBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-12(15-9-13(2,3)16)10-6-5-7-11(14)8-10/h5-8,12,15-16H,4,9H2,1-3H3.
What are the key properties of 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol?
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 65103778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).