N-methyl-1-phenylpropan-2-amine

C20H30N2 — CID 118309477

IUPACN-methyl-1-phenylpropan-2-amine
SMILESCNC(C)Cc1ccccc1.CNC(C)Cc1ccccc1
InChIInChI=1S/2C10H15N/c2*1-9(11-2)8-10-6-4-3-5-7-10/h2*3-7,9,11H,8H2,1-2H3
InChIKeyKWVOQCMEAWNBLA-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.67
Rot. Bonds6

About N-methyl-1-phenylpropan-2-amine

N-methyl-1-phenylpropan-2-amine (PubChem CID 118309477) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenylpropan-2-amine
PubChem CID118309477
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-methyl-1-phenylpropan-2-amine
SMILESCNC(C)Cc1ccccc1.CNC(C)Cc1ccccc1
InChIInChI=1S/2C10H15N/c2*1-9(11-2)8-10-6-4-3-5-7-10/h2*3-7,9,11H,8H2,1-2H3
InChIKeyKWVOQCMEAWNBLA-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
CID 143236357
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
CID 69021871
(2S)-1-(2,6-ditritiophenyl)-N-methylpropan-2-amine
CID 44607335
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
CID 144911741
(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine
CID 79304006

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylpropan-2-amine?
The IUPAC name of N-methyl-1-phenylpropan-2-amine (CID 118309477) is N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for N-methyl-1-phenylpropan-2-amine is CNC(C)Cc1ccccc1.CNC(C)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenylpropan-2-amine?
The InChIKey is KWVOQCMEAWNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N/c2*1-9(11-2)8-10-6-4-3-5-7-10/h2*3-7,9,11H,8H2,1-2H3.
What are the key properties of N-methyl-1-phenylpropan-2-amine?
N-methyl-1-phenylpropan-2-amine has a molecular weight of 298.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 118309477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).