N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine

C17H21ClN2 — CID 54806960

IUPACN'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
SMILESClc1ccccc1CNCCNCCc1ccccc1
InChIInChI=1S/C17H21ClN2/c18-17-9-5-4-8-16(17)14-20-13-12-19-11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2
InChIKeyVEHLQRDSNMUALX-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.26
Rot. Bonds8

About N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine

N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 54806960) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID54806960
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
SMILESClc1ccccc1CNCCNCCc1ccccc1
InChIInChI=1S/C17H21ClN2/c18-17-9-5-4-8-16(17)14-20-13-12-19-11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2
InChIKeyVEHLQRDSNMUALX-UHFFFAOYSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.26
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

2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 43519911
2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 115461449
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
3-[3-chloro-2-[(2-phenylethylamino)methyl]phenyl]propan-1-amine
CID 145489469
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenylethanamine
CID 2200147
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine (CID 54806960) is N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine is Clc1ccccc1CNCCNCCc1ccccc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is VEHLQRDSNMUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c18-17-9-5-4-8-16(17)14-20-13-12-19-11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine?
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).