(2S)-1-phenyl-N-prop-2-enylpropan-2-amine

C12H17N — CID 101179457

IUPAC(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H17N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3/t11-/m0/s1
InChIKeyXZFWMYPSKIXPNH-NSHDSACASA-N
MW175.27 g/mol
LogP2.39
Rot. Bonds5

About (2S)-1-phenyl-N-prop-2-enylpropan-2-amine

(2S)-1-phenyl-N-prop-2-enylpropan-2-amine (PubChem CID 101179457) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-1-phenyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
PubChem CID101179457
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H17N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3/t11-/m0/s1
InChIKeyXZFWMYPSKIXPNH-NSHDSACASA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
4-phenylmethoxy-N-prop-2-enylbutan-2-amine
CID 130948211
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
(1-phenylpropan-2-ylamino)methanol
CID 54463712
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
(3S)-4-phenyl-3-(prop-2-enylamino)butanoic acid
CID 95959100
N-methyl-1-phenylpropan-2-amine
CID 118309477
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of (2S)-1-phenyl-N-prop-2-enylpropan-2-amine (CID 101179457) is (2S)-1-phenyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for (2S)-1-phenyl-N-prop-2-enylpropan-2-amine is C=CCN[C@@H](C)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-N-prop-2-enylpropan-2-amine?
The InChIKey is XZFWMYPSKIXPNH-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3/t11-/m0/s1.
What are the key properties of (2S)-1-phenyl-N-prop-2-enylpropan-2-amine?
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 101179457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).