3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine

C18H31NO — CID 63456175

IUPAC3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
SMILESCCC(C)C(C)NC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-14(4)15(5)19-16(6)17-8-10-18(11-9-17)20-12-13(2)3/h8-11,13-16,19H,7,12H2,1-6H3
InChIKeyIXSNHEWNYKZXJL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.81
Rot. Bonds8

About 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine

3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine (PubChem CID 63456175) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
PubChem CID63456175
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
SMILESCCC(C)C(C)NC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-14(4)15(5)19-16(6)17-8-10-18(11-9-17)20-12-13(2)3/h8-11,13-16,19H,7,12H2,1-6H3
InChIKeyIXSNHEWNYKZXJL-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905160
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine (CID 63456175) is 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine is CCC(C)C(C)NC(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine?
The InChIKey is IXSNHEWNYKZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-14(4)15(5)19-16(6)17-8-10-18(11-9-17)20-12-13(2)3/h8-11,13-16,19H,7,12H2,1-6H3.
What are the key properties of 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine?
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine is sourced from PubChem (CID 63456175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).