N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine

C18H23N — CID 55198846

IUPACN-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
SMILESCCCc1ccc(-c2ccc(C(C)NC)cc2)cc1
InChIInChI=1S/C18H23N/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19-3/h6-14,19H,4-5H2,1-3H3
InChIKeyJTMKNPFKFGRFTH-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.59
Rot. Bonds5

About N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine

N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine (PubChem CID 55198846) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
PubChem CID55198846
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
SMILESCCCc1ccc(-c2ccc(C(C)NC)cc2)cc1
InChIInChI=1S/C18H23N/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19-3/h6-14,19H,4-5H2,1-3H3
InChIKeyJTMKNPFKFGRFTH-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-3-(4-propylphenyl)butan-2-amine
CID 66438296
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine (CID 55198846) is N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine is CCCc1ccc(-c2ccc(C(C)NC)cc2)cc1.
What is the InChIKey of N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine?
The InChIKey is JTMKNPFKFGRFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19-3/h6-14,19H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine?
N-methyl-1-[4-(4-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-[4-(4-propylphenyl)phenyl]ethanamine is sourced from PubChem (CID 55198846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).