2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine

C18H30ClN — CID 79449044

IUPAC2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)CC(CNCC(C)C)c1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-5-8-15(4)11-16(13-20-12-14(2)3)17-9-6-7-10-18(17)19/h6-7,9-10,14-16,20H,5,8,11-13H2,1-4H3
InChIKeyAEMUAGPHEANUNJ-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.50
Rot. Bonds9

About 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine

2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine (PubChem CID 79449044) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
PubChem CID79449044
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)CC(CNCC(C)C)c1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-5-8-15(4)11-16(13-20-12-14(2)3)17-9-6-7-10-18(17)19/h6-7,9-10,14-16,20H,5,8,11-13H2,1-4H3
InChIKeyAEMUAGPHEANUNJ-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 79436256
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79448646
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
CID 106115231
2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930865
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63490702
[1-(2,3-dichlorophenyl)-3-methylhexyl]hydrazine
CID 105298136
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine (CID 79449044) is 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine is CCCC(C)CC(CNCC(C)C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is AEMUAGPHEANUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-5-8-15(4)11-16(13-20-12-14(2)3)17-9-6-7-10-18(17)19/h6-7,9-10,14-16,20H,5,8,11-13H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine?
2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 79449044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).