N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine

C18H23ClN2 — CID 62413056

IUPACN-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCNCC(c1ccccc1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2/c1-3-20-13-18(16-7-5-4-6-8-16)21(2)14-15-9-11-17(19)12-10-15/h4-12,18,20H,3,13-14H2,1-2H3
InChIKeyIDPBLLDWXOOUDQ-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.12
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine

N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 62413056) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
PubChem CID62413056
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCNCC(c1ccccc1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2/c1-3-20-13-18(16-7-5-4-6-8-16)21(2)14-15-9-11-17(19)12-10-15/h4-12,18,20H,3,13-14H2,1-2H3
InChIKeyIDPBLLDWXOOUDQ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
3-[(4-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779798
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine (CID 62413056) is N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine is CCNCC(c1ccccc1)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is IDPBLLDWXOOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-20-13-18(16-7-5-4-6-8-16)21(2)14-15-9-11-17(19)12-10-15/h4-12,18,20H,3,13-14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine?
N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62413056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).