N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

C14H23ClN2 — CID 784062

IUPACN-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-4-17(5-2)10-9-16(3)12-13-7-6-8-14(15)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyJXNMPYRUHWPICC-UHFFFAOYSA-N
MW254.81 g/mol
LogP3.11
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 784062) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID784062
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-4-17(5-2)10-9-16(3)12-13-7-6-8-14(15)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyJXNMPYRUHWPICC-UHFFFAOYSA-N
XLogP3.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
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N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
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3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
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CID 62428888
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
CID 142098945
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
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2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (CID 784062) is N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is JXNMPYRUHWPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-17(5-2)10-9-16(3)12-13-7-6-8-14(15)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 254.81 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 784062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).