3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine

C14H23NO — CID 94683968

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(2)13-10-12(6-5-9-15-3)7-8-14(13)16-4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyHTXNOHJFOYEYGL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds6

About 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine

3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine (PubChem CID 94683968) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
PubChem CID94683968
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(2)13-10-12(6-5-9-15-3)7-8-14(13)16-4/h7-8,10-11,15H,5-6,9H2,1-4H3
InChIKeyHTXNOHJFOYEYGL-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195968
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 95452248
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine (CID 94683968) is 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine is CNCCCc1ccc(OC)c(C(C)C)c1.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine?
The InChIKey is HTXNOHJFOYEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-10-12(6-5-9-15-3)7-8-14(13)16-4/h7-8,10-11,15H,5-6,9H2,1-4H3.
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine?
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 94683968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).