N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine

C18H23N — CID 170865946

IUPACN,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
SMILESCc1ccccc1-c1cccc(CCCN(C)C)c1
InChIInChI=1S/C18H23N/c1-15-8-4-5-12-18(15)17-11-6-9-16(14-17)10-7-13-19(2)3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3
InChIKeyLTKBVQKOKMNDGH-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds5

About N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine

N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine (PubChem CID 170865946) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
PubChem CID170865946
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
SMILESCc1ccccc1-c1cccc(CCCN(C)C)c1
InChIInChI=1S/C18H23N/c1-15-8-4-5-12-18(15)17-11-6-9-16(14-17)10-7-13-19(2)3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3
InChIKeyLTKBVQKOKMNDGH-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143365994
3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
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5-[3-(2-methylphenyl)phenyl]pentanoyl chloride
CID 57305905
N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170866028
3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine
CID 174659649
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline
CID 22662689
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine (CID 170865946) is N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine is Cc1ccccc1-c1cccc(CCCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine?
The InChIKey is LTKBVQKOKMNDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-15-8-4-5-12-18(15)17-11-6-9-16(14-17)10-7-13-19(2)3/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine?
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 170865946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).