4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine

C16H27NO — CID 61210556

IUPAC4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
SMILESCC(C)CC(C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)9-14(5)17-11-15-7-6-8-16(10-15)18-13(3)4/h6-8,10,12-14,17H,9,11H2,1-5H3
InChIKeyLHXMHERKHMSLQB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds7

About 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine

4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine (PubChem CID 61210556) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
PubChem CID61210556
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
SMILESCC(C)CC(C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)9-14(5)17-11-15-7-6-8-16(10-15)18-13(3)4/h6-8,10,12-14,17H,9,11H2,1-5H3
InChIKeyLHXMHERKHMSLQB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine (CID 61210556) is 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine is CC(C)CC(C)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine?
The InChIKey is LHXMHERKHMSLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)9-14(5)17-11-15-7-6-8-16(10-15)18-13(3)4/h6-8,10,12-14,17H,9,11H2,1-5H3.
What are the key properties of 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine?
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 61210556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).