N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine

C18H21N — CID 54912714

IUPACN-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(-c2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C18H21N/c1-13-8-14(2)10-17(9-13)16-5-3-4-15(11-16)12-19-18-6-7-18/h3-5,8-11,18-19H,6-7,12H2,1-2H3
InChIKeyRQVWPVOAEDXRCB-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.22
Rot. Bonds4

About N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine

N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 54912714) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID54912714
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(-c2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C18H21N/c1-13-8-14(2)10-17(9-13)16-5-3-4-15(11-16)12-19-18-6-7-18/h3-5,8-11,18-19H,6-7,12H2,1-2H3
InChIKeyRQVWPVOAEDXRCB-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine (CID 54912714) is N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine is Cc1cc(C)cc(-c2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is RQVWPVOAEDXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-8-14(2)10-17(9-13)16-5-3-4-15(11-16)12-19-18-6-7-18/h3-5,8-11,18-19H,6-7,12H2,1-2H3.
What are the key properties of N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54912714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).