3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine

C14H23NO — CID 65313598

IUPAC3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(OC)cc1C)C(C)C
InChIInChI=1S/C14H23NO/c1-6-14(15,10(2)3)13-8-7-12(16-5)9-11(13)4/h7-10H,6,15H2,1-5H3
InChIKeyIHJBQUIWEGTNRQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine

3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine (PubChem CID 65313598) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine
PubChem CID65313598
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(OC)cc1C)C(C)C
InChIInChI=1S/C14H23NO/c1-6-14(15,10(2)3)13-8-7-12(16-5)9-11(13)4/h7-10H,6,15H2,1-5H3
InChIKeyIHJBQUIWEGTNRQ-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine (CID 65313598) is 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine is CCC(N)(c1ccc(OC)cc1C)C(C)C.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine?
The InChIKey is IHJBQUIWEGTNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-14(15,10(2)3)13-8-7-12(16-5)9-11(13)4/h7-10H,6,15H2,1-5H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine?
3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 65313598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).