2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

C14H21ClN2 — CID 62568215

IUPAC2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-4-9-16-10-12(2)17(3)11-13-7-5-6-8-14(13)15/h4-8,12,16H,1,9-11H2,2-3H3
InChIKeyGXKYEYHRNXQAHS-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.94
Rot. Bonds7

About 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62568215) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62568215
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-4-9-16-10-12(2)17(3)11-13-7-5-6-8-14(13)15/h4-8,12,16H,1,9-11H2,2-3H3
InChIKeyGXKYEYHRNXQAHS-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62411724
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 55089188
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412616
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (CID 62568215) is 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is GXKYEYHRNXQAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-4-9-16-10-12(2)17(3)11-13-7-5-6-8-14(13)15/h4-8,12,16H,1,9-11H2,2-3H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62568215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).