4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine

C18H31NO — CID 79420865

IUPAC4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
SMILESCCCCOCCC(CNCCC)c1ccccc1C
InChIInChI=1S/C18H31NO/c1-4-6-13-20-14-11-17(15-19-12-5-2)18-10-8-7-9-16(18)3/h7-10,17,19H,4-6,11-15H2,1-3H3
InChIKeyFWKOBFJILZVEAP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.29
Rot. Bonds11

About 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine

4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine (PubChem CID 79420865) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
PubChem CID79420865
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
SMILESCCCCOCCC(CNCCC)c1ccccc1C
InChIInChI=1S/C18H31NO/c1-4-6-13-20-14-11-17(15-19-12-5-2)18-10-8-7-9-16(18)3/h7-10,17,19H,4-6,11-15H2,1-3H3
InChIKeyFWKOBFJILZVEAP-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.29
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

4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine (CID 79420865) is 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine is CCCCOCCC(CNCCC)c1ccccc1C.
What is the InChIKey of 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is FWKOBFJILZVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-13-20-14-11-17(15-19-12-5-2)18-10-8-7-9-16(18)3/h7-10,17,19H,4-6,11-15H2,1-3H3.
What are the key properties of 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine?
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 79420865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).