(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol

C14H20BrNO2 — CID 95629005

IUPAC(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
SMILESC=C(Br)CN(C)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C14H20BrNO2/c1-12(15)8-16(2)9-14(17)11-18-10-13-6-4-3-5-7-13/h3-7,14,17H,1,8-11H2,2H3/t14-/m1/s1
InChIKeyWBVMWJRMFUVLOQ-CQSZACIVSA-N
MW314.22 g/mol
LogP2.40
Rot. Bonds8

About (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol

(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 95629005) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID95629005
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
SMILESC=C(Br)CN(C)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C14H20BrNO2/c1-12(15)8-16(2)9-14(17)11-18-10-13-6-4-3-5-7-13/h3-7,14,17H,1,8-11H2,2H3/t14-/m1/s1
InChIKeyWBVMWJRMFUVLOQ-CQSZACIVSA-N
XLogP2.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115898094
CID 172760983
CID 172760983
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-methylamino]acetonitrile
CID 110929641
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol (CID 95629005) is (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol is C=C(Br)CN(C)C[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is WBVMWJRMFUVLOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-12(15)8-16(2)9-14(17)11-18-10-13-6-4-3-5-7-13/h3-7,14,17H,1,8-11H2,2H3/t14-/m1/s1.
What are the key properties of (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 314.22 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 95629005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).