N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine

C11H15ClN2 — CID 62559395

IUPACN'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
SMILESClc1cccc(NCCNC2CC2)c1
InChIInChI=1S/C11H15ClN2/c12-9-2-1-3-11(8-9)14-7-6-13-10-4-5-10/h1-3,8,10,13-14H,4-7H2
InChIKeyRVYXBKIRFLWISH-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.50
Rot. Bonds5

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

N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine (PubChem CID 62559395) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
PubChem CID62559395
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
SMILESClc1cccc(NCCNC2CC2)c1
InChIInChI=1S/C11H15ClN2/c12-9-2-1-3-11(8-9)14-7-6-13-10-4-5-10/h1-3,8,10,13-14H,4-7H2
InChIKeyRVYXBKIRFLWISH-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14274750
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N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine
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N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
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CID 75499211
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
3-(3-chloroanilino)-N-cycloheptylpropanamide
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3-chloro-N-[2-(3-methoxypiperidin-1-yl)ethyl]aniline
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3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 63515430
3-chloro-N-(2-methylsulfanylethyl)aniline
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CID 62575733

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine (CID 62559395) is N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine is Clc1cccc(NCCNC2CC2)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is RVYXBKIRFLWISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-2-1-3-11(8-9)14-7-6-13-10-4-5-10/h1-3,8,10,13-14H,4-7H2.
What are the key properties of N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine?
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 210.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 62559395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).