N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

C15H23ClN2 — CID 113261023

IUPACN-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H23ClN2/c1-3-18(15-8-9-15)11-10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyRGODRMKEHWIYNG-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine (PubChem CID 113261023) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
PubChem CID113261023
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H23ClN2/c1-3-18(15-8-9-15)11-10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyRGODRMKEHWIYNG-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
CID 115716023
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 103780414
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine (CID 113261023) is N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine is CCN(CCNC(C)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The InChIKey is RGODRMKEHWIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-18(15-8-9-15)11-10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 113261023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).