2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine

C14H23NO — CID 62724090

IUPAC2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-8-14(2,11-15)10-12-6-5-7-13(9-12)16-3/h5-7,9H,4,8,10-11,15H2,1-3H3
InChIKeyZZUOCDNWRCFPDK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine

2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine (PubChem CID 62724090) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
PubChem CID62724090
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-8-14(2,11-15)10-12-6-5-7-13(9-12)16-3/h5-7,9H,4,8,10-11,15H2,1-3H3
InChIKeyZZUOCDNWRCFPDK-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61420226
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
1-methoxy-3-propylbenzene
CID 14270128
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
CID 62739211
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
1-methoxy-2-[(3-methoxyphenyl)methyl]butan-2-ol
CID 65149549
2-[(3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65378065
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine (CID 62724090) is 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)Cc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine?
The InChIKey is ZZUOCDNWRCFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-14(2,11-15)10-12-6-5-7-13(9-12)16-3/h5-7,9H,4,8,10-11,15H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine?
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 62724090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).