2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine

C16H27NO — CID 62528121

IUPAC2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NO/c1-5-8-14(12-17-13(2)3)11-15-9-6-7-10-16(15)18-4/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3
InChIKeyJPQZRHKTRARFFL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds8

About 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine

2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62528121) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62528121
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NO/c1-5-8-14(12-17-13(2)3)11-15-9-6-7-10-16(15)18-4/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3
InChIKeyJPQZRHKTRARFFL-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine (CID 62528121) is 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is JPQZRHKTRARFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-8-14(12-17-13(2)3)11-15-9-6-7-10-16(15)18-4/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62528121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).