N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C18H31ClN2 — CID 63494911

IUPACN-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C18H31ClN2/c1-14(2)11-20-12-18(4,5)13-21(6)15(3)16-9-7-8-10-17(16)19/h7-10,14-15,20H,11-13H2,1-6H3
InChIKeyQDRUKVIZEAOVDX-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.60
Rot. Bonds8

About N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63494911) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63494911
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C18H31ClN2/c1-14(2)11-20-12-18(4,5)13-21(6)15(3)16-9-7-8-10-17(16)19/h7-10,14-15,20H,11-13H2,1-6H3
InChIKeyQDRUKVIZEAOVDX-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
4-[1-(2-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455427
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63490702
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62984016
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 55195781
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63494911) is N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is QDRUKVIZEAOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-14(2)11-20-12-18(4,5)13-21(6)15(3)16-9-7-8-10-17(16)19/h7-10,14-15,20H,11-13H2,1-6H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 310.91 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63494911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).