(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine

C13H18ClN — CID 76961163

IUPAC(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
SMILESC[C@H](Cc1ccccc1)N(C)C/C=C/Cl
InChIInChI=1S/C13H18ClN/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+/t12-/m1/s1
InChIKeyWQPNOWBUJLJPCE-UVMWJGKXSA-N
MW223.75 g/mol
LogP3.30
Rot. Bonds5

About (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine

(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine (PubChem CID 76961163) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
PubChem CID76961163
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
SMILESC[C@H](Cc1ccccc1)N(C)C/C=C/Cl
InChIInChI=1S/C13H18ClN/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+/t12-/m1/s1
InChIKeyWQPNOWBUJLJPCE-UVMWJGKXSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine;(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
CID 76969725
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
CID 110174057
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
N,N-diethyl-1-phenylpropan-2-amine
CID 521361

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine (CID 76961163) is (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine is C[C@H](Cc1ccccc1)N(C)C/C=C/Cl.
What is the InChIKey of (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine?
The InChIKey is WQPNOWBUJLJPCE-UVMWJGKXSA-N. The full InChI is InChI=1S/C13H18ClN/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+/t12-/m1/s1.
What are the key properties of (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine?
(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 76961163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).