1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol

C17H20BrNO2 — CID 61401206

IUPAC1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
SMILESOC(CNCc1cccc(Br)c1)COCc1ccccc1
InChIInChI=1S/C17H20BrNO2/c18-16-8-4-7-15(9-16)10-19-11-17(20)13-21-12-14-5-2-1-3-6-14/h1-9,17,19-20H,10-13H2
InChIKeyJNWTULYJYHODET-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.12
Rot. Bonds8

About 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol

1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 61401206) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID61401206
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
SMILESOC(CNCc1cccc(Br)c1)COCc1ccccc1
InChIInChI=1S/C17H20BrNO2/c18-16-8-4-7-15(9-16)10-19-11-17(20)13-21-12-14-5-2-1-3-6-14/h1-9,17,19-20H,10-13H2
InChIKeyJNWTULYJYHODET-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
CID 82828408
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol
CID 61401329
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol (CID 61401206) is 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol is OC(CNCc1cccc(Br)c1)COCc1ccccc1.
What is the InChIKey of 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is JNWTULYJYHODET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-16-8-4-7-15(9-16)10-19-11-17(20)13-21-12-14-5-2-1-3-6-14/h1-9,17,19-20H,10-13H2.
What are the key properties of 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol?
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 61401206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).