N-[2-(4-ethylphenyl)ethyl]propan-1-amine

C13H21N — CID 62550246

IUPACN-[2-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CC)cc1
InChIInChI=1S/C13H21N/c1-3-10-14-11-9-13-7-5-12(4-2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyMFLZVKYDZGHFFK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(4-ethylphenyl)ethyl]propan-1-amine

N-[2-(4-ethylphenyl)ethyl]propan-1-amine (PubChem CID 62550246) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]propan-1-amine
PubChem CID62550246
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[2-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CC)cc1
InChIInChI=1S/C13H21N/c1-3-10-14-11-9-13-7-5-12(4-2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyMFLZVKYDZGHFFK-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
4-[2-(4-ethylphenyl)ethylamino]butanenitrile
CID 115231880
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
N,2-dimethyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]butan-2-amine
CID 105347795

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]propan-1-amine (CID 62550246) is N-[2-(4-ethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]propan-1-amine is CCCNCCc1ccc(CC)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]propan-1-amine?
The InChIKey is MFLZVKYDZGHFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-10-14-11-9-13-7-5-12(4-2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-ethylphenyl)ethyl]propan-1-amine?
N-[2-(4-ethylphenyl)ethyl]propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62550246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).