4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine

C14H23NO2 — CID 94264025

IUPAC4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(OC)c(CC(C)(C)CCN)c1
InChIInChI=1S/C14H23NO2/c1-14(2,7-8-15)10-11-9-12(16-3)5-6-13(11)17-4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyKAJYRJPNBZBWPN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.62
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine

4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 94264025) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
PubChem CID94264025
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(OC)c(CC(C)(C)CCN)c1
InChIInChI=1S/C14H23NO2/c1-14(2,7-8-15)10-11-9-12(16-3)5-6-13(11)17-4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyKAJYRJPNBZBWPN-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
3-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134910
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
2-[(2,5-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111076
3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanethioamide
CID 82154660
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
(3S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-3-methylbutanal
CID 11447772
N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
CID 71777141
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308482

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine (CID 94264025) is 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine is COc1ccc(OC)c(CC(C)(C)CCN)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is KAJYRJPNBZBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,7-8-15)10-11-9-12(16-3)5-6-13(11)17-4/h5-6,9H,7-8,10,15H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine?
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 94264025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).