3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine

C16H26ClN — CID 165135000

IUPAC3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine
SMILESCCCN(CC)CCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-5-12-18(6-2)13-11-16(3,4)14-7-9-15(17)10-8-14/h7-10H,5-6,11-13H2,1-4H3
InChIKeyCEUOUXHMISTXBG-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.74
Rot. Bonds7

About 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine

3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine (PubChem CID 165135000) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine
PubChem CID165135000
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine
SMILESCCCN(CC)CCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-5-12-18(6-2)13-11-16(3,4)14-7-9-15(17)10-8-14/h7-10H,5-6,11-13H2,1-4H3
InChIKeyCEUOUXHMISTXBG-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine (CID 165135000) is 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine is CCCN(CC)CCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine?
The InChIKey is CEUOUXHMISTXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-12-18(6-2)13-11-16(3,4)14-7-9-15(17)10-8-14/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine?
3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethyl-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 165135000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).