2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine

C18H28ClNO — CID 79433188

IUPAC2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCC(C)CNCC(CCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C18H28ClNO/c1-14(2)12-20-13-16(8-9-18-7-4-10-21-18)15-5-3-6-17(19)11-15/h3,5-6,11,14,16,18,20H,4,7-10,12-13H2,1-2H3
InChIKeyJOZUQAGAIFBQQV-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.63
Rot. Bonds8

About 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine

2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 79433188) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID79433188
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCC(C)CNCC(CCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C18H28ClNO/c1-14(2)12-20-13-16(8-9-18-7-4-10-21-18)15-5-3-6-17(19)11-15/h3,5-6,11,14,16,18,20H,4,7-10,12-13H2,1-2H3
InChIKeyJOZUQAGAIFBQQV-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine (CID 79433188) is 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine is CC(C)CNCC(CCC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is JOZUQAGAIFBQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-14(2)12-20-13-16(8-9-18-7-4-10-21-18)15-5-3-6-17(19)11-15/h3,5-6,11,14,16,18,20H,4,7-10,12-13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine?
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 79433188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).