2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

C18H30ClN — CID 63515522

IUPAC2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-5-11-18(12-6-2,14-20-13-15(3)4)16-9-7-8-10-17(16)19/h7-10,15,20H,5-6,11-14H2,1-4H3
InChIKeyGPDRABVNUOLXEA-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.42
Rot. Bonds9

About 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (PubChem CID 63515522) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
PubChem CID63515522
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-5-11-18(12-6-2,14-20-13-15(3)4)16-9-7-8-10-17(16)19/h7-10,15,20H,5-6,11-14H2,1-4H3
InChIKeyGPDRABVNUOLXEA-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63516669
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63510738
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
1-(2-chlorophenyl)butane-1,1-diol
CID 150424149
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 116662398
2-ethyl-N-(2-methylpropyl)-2-phenyl-4-propan-2-yloxybutan-1-amine
CID 62725451

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (CID 63515522) is 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCC(C)C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The InChIKey is GPDRABVNUOLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-5-11-18(12-6-2,14-20-13-15(3)4)16-9-7-8-10-17(16)19/h7-10,15,20H,5-6,11-14H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63515522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).