N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine

C20H27N — CID 116545311

IUPACN-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1cccc(CCC)c1
InChIInChI=1S/C20H27N/c1-4-9-17-10-8-11-18(15-17)20-13-7-6-12-19(20)16(3)21-14-5-2/h6-8,10-13,15-16,21H,4-5,9,14H2,1-3H3
InChIKeyNREXHRRARWIQNQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.37
Rot. Bonds7

About N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine

N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine (PubChem CID 116545311) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
PubChem CID116545311
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1cccc(CCC)c1
InChIInChI=1S/C20H27N/c1-4-9-17-10-8-11-18(15-17)20-13-7-6-12-19(20)16(3)21-14-5-2/h6-8,10-13,15-16,21H,4-5,9,14H2,1-3H3
InChIKeyNREXHRRARWIQNQ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
CID 63020950
1-hexyl-3-(2-propan-2-ylphenyl)benzene
CID 173321287
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
1-phenyl-3-propylbenzene
CID 4110465
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
3-fluoro-5-[2-[1-(propylamino)ethyl]phenyl]benzonitrile
CID 66423884

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine (CID 116545311) is N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1cccc(CCC)c1.
What is the InChIKey of N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is NREXHRRARWIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-9-17-10-8-11-18(15-17)20-13-7-6-12-19(20)16(3)21-14-5-2/h6-8,10-13,15-16,21H,4-5,9,14H2,1-3H3.
What are the key properties of N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 116545311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).