N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine

C22H25ClN2 — CID 129364517

IUPACN-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine
SMILESC[C@H](NCCNCCc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C22H25ClN2/c1-17(20-11-6-9-18-7-2-4-10-21(18)20)25-16-15-24-14-13-19-8-3-5-12-22(19)23/h2-12,17,24-25H,13-16H2,1H3/t17-/m0/s1
InChIKeyYXUOWBQRYGVDNZ-KRWDZBQOSA-N
MW352.91 g/mol
LogP4.98
Rot. Bonds8

About N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine

N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine (PubChem CID 129364517) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine
PubChem CID129364517
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine
SMILESC[C@H](NCCNCCc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C22H25ClN2/c1-17(20-11-6-9-18-7-2-4-10-21(18)20)25-16-15-24-14-13-19-8-3-5-12-22(19)23/h2-12,17,24-25H,13-16H2,1H3/t17-/m0/s1
InChIKeyYXUOWBQRYGVDNZ-KRWDZBQOSA-N
XLogP4.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.98
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine (CID 129364517) is N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine is C[C@H](NCCNCCc1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine?
The InChIKey is YXUOWBQRYGVDNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-17(20-11-6-9-18-7-2-4-10-21(18)20)25-16-15-24-14-13-19-8-3-5-12-22(19)23/h2-12,17,24-25H,13-16H2,1H3/t17-/m0/s1.
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine?
N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine has a molecular weight of 352.91 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine is sourced from PubChem (CID 129364517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).