3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine

C17H29NO2 — CID 66436778

IUPAC3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
SMILESCCCOc1ccc(C(C)C(C)NC)cc1OCCC
InChIInChI=1S/C17H29NO2/c1-6-10-19-16-9-8-15(13(3)14(4)18-5)12-17(16)20-11-7-2/h8-9,12-14,18H,6-7,10-11H2,1-5H3
InChIKeyUYMJFOVPGLCTER-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.98
Rot. Bonds9

About 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine

3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine (PubChem CID 66436778) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
PubChem CID66436778
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
SMILESCCCOc1ccc(C(C)C(C)NC)cc1OCCC
InChIInChI=1S/C17H29NO2/c1-6-10-19-16-9-8-15(13(3)14(4)18-5)12-17(16)20-11-7-2/h8-9,12-14,18H,6-7,10-11H2,1-5H3
InChIKeyUYMJFOVPGLCTER-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
CID 79304005
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
4-(1-bromo-2-ethylbutyl)-1,2-dipropoxybenzene
CID 63440246
4-(1-bromo-2-methylpentyl)-1,2-dipropoxybenzene
CID 63440249
4-(1-bromo-2,2-dimethylpropyl)-1,2-dipropoxybenzene
CID 63440204
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
CID 83150104

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine (CID 66436778) is 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine is CCCOc1ccc(C(C)C(C)NC)cc1OCCC.
What is the InChIKey of 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is UYMJFOVPGLCTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-19-16-9-8-15(13(3)14(4)18-5)12-17(16)20-11-7-2/h8-9,12-14,18H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine?
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 66436778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).