N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine

C11H17ClN2 — CID 83821234

IUPACN'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-9(2)14(7-6-13)11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyDZSLZXIJAXSWSN-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.51
Rot. Bonds4

About N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine

N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 83821234) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID83821234
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-9(2)14(7-6-13)11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyDZSLZXIJAXSWSN-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-propylaniline
CID 70632637
N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 28771738
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
3-[3-chloro-N-(1-phenylethyl)anilino]propanoic acid
CID 82318339
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline
CID 59728205
(2R)-2-(3-chloro-N-propylanilino)butanoic acid
CID 125045045
N-butyl-3-chloro-N-phenylaniline
CID 23348476

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine (CID 83821234) is N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DZSLZXIJAXSWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(2)14(7-6-13)11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,13H2,1-2H3.
What are the key properties of N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 83821234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).