N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine

C17H29ClN2 — CID 63493774

IUPACN-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C17H29ClN2/c1-5-11-17(3,13-19-6-2)14-20(4)12-15-9-7-8-10-16(15)18/h7-10,19H,5-6,11-14H2,1-4H3
InChIKeyGFMYZVUCGXJTIO-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.19
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine

N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine (PubChem CID 63493774) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
PubChem CID63493774
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C17H29ClN2/c1-5-11-17(3,13-19-6-2)14-20(4)12-15-9-7-8-10-16(15)18/h7-10,19H,5-6,11-14H2,1-4H3
InChIKeyGFMYZVUCGXJTIO-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260863
N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
CID 55056456
N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62272453
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256691
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
CID 62270705

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine (CID 63493774) is N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
The InChIKey is GFMYZVUCGXJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-5-11-17(3,13-19-6-2)14-20(4)12-15-9-7-8-10-16(15)18/h7-10,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63493774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).