1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C15H17Cl2N3 — CID 60790409

IUPAC1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccncc1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H17Cl2N3/c1-20(10-11-2-4-19-5-3-11)15(9-18)12-6-13(16)8-14(17)7-12/h2-8,15H,9-10,18H2,1H3
InChIKeyKQNGUUQRIKCEGJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.52
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 60790409) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID60790409
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccncc1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H17Cl2N3/c1-20(10-11-2-4-19-5-3-11)15(9-18)12-6-13(16)8-14(17)7-12/h2-8,15H,9-10,18H2,1H3
InChIKeyKQNGUUQRIKCEGJ-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 114453263
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 103569459
1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55227719
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 60790409) is 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CN(Cc1ccncc1)C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is KQNGUUQRIKCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-20(10-11-2-4-19-5-3-11)15(9-18)12-6-13(16)8-14(17)7-12/h2-8,15H,9-10,18H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 310.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 60790409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).