N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine

C25H27N — CID 137465226

IUPACN-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2cccc(C)c2)cc1)N(C)Cc1cccc(C)c1
InChIInChI=1S/C25H27N/c1-19-7-5-9-23(15-19)18-26(4)21(3)17-22-11-13-24(14-12-22)25-10-6-8-20(2)16-25/h5-16H,3,17-18H2,1-2,4H3
InChIKeyPVPLSAXDEDABGO-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.16
Rot. Bonds6

About N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine

N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine (PubChem CID 137465226) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine
PubChem CID137465226
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2cccc(C)c2)cc1)N(C)Cc1cccc(C)c1
InChIInChI=1S/C25H27N/c1-19-7-5-9-23(15-19)18-26(4)21(3)17-22-11-13-24(14-12-22)25-10-6-8-20(2)16-25/h5-16H,3,17-18H2,1-2,4H3
InChIKeyPVPLSAXDEDABGO-UHFFFAOYSA-N
XLogP6.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine
CID 126624466
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
3-methyl-1-[4-(3-methylphenyl)phenyl]butan-2-one
CID 82541284
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine (CID 137465226) is N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine is C=C(Cc1ccc(-c2cccc(C)c2)cc1)N(C)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine?
The InChIKey is PVPLSAXDEDABGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-19-7-5-9-23(15-19)18-26(4)21(3)17-22-11-13-24(14-12-22)25-10-6-8-20(2)16-25/h5-16H,3,17-18H2,1-2,4H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine?
N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine has a molecular weight of 341.50 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine is sourced from PubChem (CID 137465226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).