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

C15H25BrN2O — CID 103904398

IUPAC1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCC(NCC(C)(O)CN(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-5-14(12-7-6-8-13(16)9-12)17-10-15(2,19)11-18(3)4/h6-9,14,17,19H,5,10-11H2,1-4H3
InChIKeyOKAZZOVUNBOYNL-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.80
Rot. Bonds7

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

1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103904398) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103904398
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCC(NCC(C)(O)CN(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-5-14(12-7-6-8-13(16)9-12)17-10-15(2,19)11-18(3)4/h6-9,14,17,19H,5,10-11H2,1-4H3
InChIKeyOKAZZOVUNBOYNL-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767790
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
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
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103904398) is 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CCC(NCC(C)(O)CN(C)C)c1cccc(Br)c1.
What is the InChIKey of 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is OKAZZOVUNBOYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-5-14(12-7-6-8-13(16)9-12)17-10-15(2,19)11-18(3)4/h6-9,14,17,19H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 329.28 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103904398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).