N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine

C18H23N — CID 116545342

IUPACN-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
SMILESCCCc1cccc(-c2cccc(C(C)NC)c2)c1
InChIInChI=1S/C18H23N/c1-4-7-15-8-5-10-17(12-15)18-11-6-9-16(13-18)14(2)19-3/h5-6,8-14,19H,4,7H2,1-3H3
InChIKeyCNQZCSGJUROWPO-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.59
Rot. Bonds5

About N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine

N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine (PubChem CID 116545342) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
PubChem CID116545342
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
SMILESCCCc1cccc(-c2cccc(C(C)NC)c2)c1
InChIInChI=1S/C18H23N/c1-4-7-15-8-5-10-17(12-15)18-11-6-9-16(13-18)14(2)19-3/h5-6,8-14,19H,4,7H2,1-3H3
InChIKeyCNQZCSGJUROWPO-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
CID 59900479
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
1-phenyl-3-propylbenzene
CID 4110465
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
CID 123206397
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
1-(3-propylphenyl)ethanamine
CID 116543909
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine (CID 116545342) is N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine is CCCc1cccc(-c2cccc(C(C)NC)c2)c1.
What is the InChIKey of N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine?
The InChIKey is CNQZCSGJUROWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-7-15-8-5-10-17(12-15)18-11-6-9-16(13-18)14(2)19-3/h5-6,8-14,19H,4,7H2,1-3H3.
What are the key properties of N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine?
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine is sourced from PubChem (CID 116545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).