2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

C18H31NO — CID 63507865

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H31NO/c1-7-10-18(5,13-19-14(2)3)12-16-11-15(4)8-9-17(16)20-6/h8-9,11,14,19H,7,10,12-13H2,1-6H3
InChIKeyZNHCMWKQEDMZTL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds8

About 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 63507865) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID63507865
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H31NO/c1-7-10-18(5,13-19-14(2)3)12-16-11-15(4)8-9-17(16)20-6/h8-9,11,14,19H,7,10,12-13H2,1-6H3
InChIKeyZNHCMWKQEDMZTL-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
CID 55106705
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
CID 83153060
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 63507865) is 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CNC(C)C)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is ZNHCMWKQEDMZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-10-18(5,13-19-14(2)3)12-16-11-15(4)8-9-17(16)20-6/h8-9,11,14,19H,7,10,12-13H2,1-6H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63507865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).