1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol

C19H23NO — CID 119123695

IUPAC1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
SMILESC/C(=C/c1ccccc1)CNCC(O)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(12-17-8-4-2-5-9-17)14-20-15-19(21)13-18-10-6-3-7-11-18/h2-12,19-21H,13-15H2,1H3/b16-12-
InChIKeyFBDQQHKBTDFGHC-VBKFSLOCSA-N
MW281.40 g/mol
LogP3.28
Rot. Bonds7

About 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol

1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol (PubChem CID 119123695) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
PubChem CID119123695
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
SMILESC/C(=C/c1ccccc1)CNCC(O)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(12-17-8-4-2-5-9-17)14-20-15-19(21)13-18-10-6-3-7-11-18/h2-12,19-21H,13-15H2,1H3/b16-12-
InChIKeyFBDQQHKBTDFGHC-VBKFSLOCSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
CID 127265895
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol (CID 119123695) is 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol is C/C(=C/c1ccccc1)CNCC(O)Cc1ccccc1.
What is the InChIKey of 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol?
The InChIKey is FBDQQHKBTDFGHC-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(12-17-8-4-2-5-9-17)14-20-15-19(21)13-18-10-6-3-7-11-18/h2-12,19-21H,13-15H2,1H3/b16-12-.
What are the key properties of 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol?
1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 119123695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).