4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine

C14H23NO — CID 64715949

IUPAC4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-11(15-4)10-14(2,3)12-7-6-8-13(9-12)16-5/h6-9,11,15H,10H2,1-5H3
InChIKeyIZQZNRQDWAIGOQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds5

About 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine

4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine (PubChem CID 64715949) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
PubChem CID64715949
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-11(15-4)10-14(2,3)12-7-6-8-13(9-12)16-5/h6-9,11,15H,10H2,1-5H3
InChIKeyIZQZNRQDWAIGOQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
CID 114523014
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
1-tert-butyl-4-[2-(3-methoxyphenyl)-2-methylpropyl]benzene
CID 129081798
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine (CID 64715949) is 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine is CNC(C)CC(C)(C)c1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine?
The InChIKey is IZQZNRQDWAIGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(15-4)10-14(2,3)12-7-6-8-13(9-12)16-5/h6-9,11,15H,10H2,1-5H3.
What are the key properties of 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine?
4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 64715949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).