N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine

C12H19ClN2O — CID 54805618

IUPACN'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCNCCNc1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O/c1-16-10-2-7-14-8-9-15-12-5-3-11(13)4-6-12/h3-6,14-15H,2,7-10H2,1H3
InChIKeyOVLNZOIDKRXEPA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.38
Rot. Bonds8

About N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine

N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 54805618) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID54805618
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCNCCNc1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O/c1-16-10-2-7-14-8-9-15-12-5-3-11(13)4-6-12/h3-6,14-15H,2,7-10H2,1H3
InChIKeyOVLNZOIDKRXEPA-UHFFFAOYSA-N
XLogP2.38
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805853
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54806172
N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine
CID 54806314
4-chloro-N-[2-(3-methoxypropylsulfonyl)ethyl]aniline
CID 106513408
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805653
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
3-(2-tert-butyl-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2299839

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (CID 54805618) is N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is COCCCNCCNc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is OVLNZOIDKRXEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-16-10-2-7-14-8-9-15-12-5-3-11(13)4-6-12/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 54805618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).