2-(3-methoxyphenyl)-4-methylhexan-2-amine

C14H23NO — CID 62622006

IUPAC2-(3-methoxyphenyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(C)(N)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-5-11(2)10-14(3,15)12-7-6-8-13(9-12)16-4/h6-9,11H,5,10,15H2,1-4H3
InChIKeyDFCLLNJZAIXMSI-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.31
Rot. Bonds5

About 2-(3-methoxyphenyl)-4-methylhexan-2-amine

2-(3-methoxyphenyl)-4-methylhexan-2-amine (PubChem CID 62622006) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methylhexan-2-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methylhexan-2-amine
PubChem CID62622006
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3-methoxyphenyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(C)(N)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-5-11(2)10-14(3,15)12-7-6-8-13(9-12)16-4/h6-9,11H,5,10,15H2,1-4H3
InChIKeyDFCLLNJZAIXMSI-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
(3S)-3-amino-3-(3-methoxyphenyl)butanenitrile
CID 130657362
2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
CID 163960110
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-(3-methoxyphenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771886
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 64715949
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 60797838
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methylhexan-2-amine?
The IUPAC name of 2-(3-methoxyphenyl)-4-methylhexan-2-amine (CID 62622006) is 2-(3-methoxyphenyl)-4-methylhexan-2-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methylhexan-2-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methylhexan-2-amine is CCC(C)CC(C)(N)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methylhexan-2-amine?
The InChIKey is DFCLLNJZAIXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(2)10-14(3,15)12-7-6-8-13(9-12)16-4/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-4-methylhexan-2-amine?
2-(3-methoxyphenyl)-4-methylhexan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methylhexan-2-amine is sourced from PubChem (CID 62622006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).