N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine

C15H25N — CID 21355581

IUPACN-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
SMILESCCc1ccc(CNC(C)CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-14-6-8-15(9-7-14)11-16-13(4)10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyYQSYJPYYOHBXFL-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine

N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 21355581) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
PubChem CID21355581
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
SMILESCCc1ccc(CNC(C)CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-14-6-8-15(9-7-14)11-16-13(4)10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyYQSYJPYYOHBXFL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963961
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine (CID 21355581) is N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine is CCc1ccc(CNC(C)CC(C)C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is YQSYJPYYOHBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-14-6-8-15(9-7-14)11-16-13(4)10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine?
N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 21355581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).