1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine

C15H23Cl2N — CID 63412621

IUPAC1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)CC(C)C
InChIInChI=1S/C15H23Cl2N/c1-4-8-18-12(9-11(2)3)10-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyLMXNCKKMOJZVNM-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.95
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine

1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 63412621) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID63412621
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)CC(C)C
InChIInChI=1S/C15H23Cl2N/c1-4-8-18-12(9-11(2)3)10-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyLMXNCKKMOJZVNM-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
CID 66141176
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine (CID 63412621) is 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1c(Cl)cccc1Cl)CC(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is LMXNCKKMOJZVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-4-8-18-12(9-11(2)3)10-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine?
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 63412621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).