2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine

C18H31NO2 — CID 79304005

IUPAC2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
SMILESCCCOc1ccc(C(C)C(N)C(C)C)cc1OCCC
InChIInChI=1S/C18H31NO2/c1-6-10-20-16-9-8-15(12-17(16)21-11-7-2)14(5)18(19)13(3)4/h8-9,12-14,18H,6-7,10-11,19H2,1-5H3
InChIKeyJXBUPIWWCWVIFW-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.35
Rot. Bonds9

About 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine

2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine (PubChem CID 79304005) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
PubChem CID79304005
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
SMILESCCCOc1ccc(C(C)C(N)C(C)C)cc1OCCC
InChIInChI=1S/C18H31NO2/c1-6-10-20-16-9-8-15(12-17(16)21-11-7-2)14(5)18(19)13(3)4/h8-9,12-14,18H,6-7,10-11,19H2,1-5H3
InChIKeyJXBUPIWWCWVIFW-UHFFFAOYSA-N
XLogP4.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
4-(1-bromo-2-methylpentyl)-1,2-dipropoxybenzene
CID 63440249
4-(1-bromo-2,2-dimethylpropyl)-1,2-dipropoxybenzene
CID 63440204
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
4-(1-bromo-2-ethylbutyl)-1,2-dipropoxybenzene
CID 63440246
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine?
The IUPAC name of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine (CID 79304005) is 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine.
What is the SMILES notation for 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine?
The canonical SMILES for 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine is CCCOc1ccc(C(C)C(N)C(C)C)cc1OCCC.
What is the InChIKey of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine?
The InChIKey is JXBUPIWWCWVIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-10-20-16-9-8-15(12-17(16)21-11-7-2)14(5)18(19)13(3)4/h8-9,12-14,18H,6-7,10-11,19H2,1-5H3.
What are the key properties of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine?
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine has a molecular weight of 293.45 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine is sourced from PubChem (CID 79304005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).