N-[1-(4-ethylphenyl)propyl]butan-2-amine

C15H25N — CID 43309866

IUPACN-[1-(4-ethylphenyl)propyl]butan-2-amine
SMILESCCc1ccc(C(CC)NC(C)CC)cc1
InChIInChI=1S/C15H25N/c1-5-12(4)16-15(7-3)14-10-8-13(6-2)9-11-14/h8-12,15-16H,5-7H2,1-4H3
InChIKeyXVJWXVGSMZRFQS-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.09
Rot. Bonds6

About N-[1-(4-ethylphenyl)propyl]butan-2-amine

N-[1-(4-ethylphenyl)propyl]butan-2-amine (PubChem CID 43309866) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]butan-2-amine
PubChem CID43309866
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[1-(4-ethylphenyl)propyl]butan-2-amine
SMILESCCc1ccc(C(CC)NC(C)CC)cc1
InChIInChI=1S/C15H25N/c1-5-12(4)16-15(7-3)14-10-8-13(6-2)9-11-14/h8-12,15-16H,5-7H2,1-4H3
InChIKeyXVJWXVGSMZRFQS-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
CID 113499014
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
3-[1-(4-ethylphenyl)propylamino]pentanenitrile
CID 62648007
N-butan-2-yl-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115524378
1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]butan-2-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]butan-2-amine (CID 43309866) is N-[1-(4-ethylphenyl)propyl]butan-2-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]butan-2-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]butan-2-amine is CCc1ccc(C(CC)NC(C)CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]butan-2-amine?
The InChIKey is XVJWXVGSMZRFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-12(4)16-15(7-3)14-10-8-13(6-2)9-11-14/h8-12,15-16H,5-7H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]butan-2-amine?
N-[1-(4-ethylphenyl)propyl]butan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]butan-2-amine is sourced from PubChem (CID 43309866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).