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

C13H21N — CID 43185208

IUPACN-[1-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(CC)cc1
InChIInChI=1S/C13H21N/c1-4-10-14-11(3)13-8-6-12(5-2)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyIRYCVRULGIUZGQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.31
Rot. Bonds5

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

N-[1-(4-ethylphenyl)ethyl]propan-1-amine (PubChem CID 43185208) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]propan-1-amine
PubChem CID43185208
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(CC)cc1
InChIInChI=1S/C13H21N/c1-4-10-14-11(3)13-8-6-12(5-2)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyIRYCVRULGIUZGQ-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[2-[1-(4-ethylphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203024
N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666749
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]propan-1-amine (CID 43185208) is N-[1-(4-ethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]propan-1-amine?
The InChIKey is IRYCVRULGIUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-10-14-11(3)13-8-6-12(5-2)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]propan-1-amine?
N-[1-(4-ethylphenyl)ethyl]propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43185208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).