N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C15H25ClN2O — CID 62592250

IUPACN'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(Cl)cc1CN(C)CCNCC(C)C
InChIInChI=1S/C15H25ClN2O/c1-12(2)10-17-7-8-18(3)11-13-9-14(16)5-6-15(13)19-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyUTLPIPLWZLYCNW-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.03
Rot. Bonds8

About N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62592250) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62592250
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(Cl)cc1CN(C)CCNCC(C)C
InChIInChI=1S/C15H25ClN2O/c1-12(2)10-17-7-8-18(3)11-13-9-14(16)5-6-15(13)19-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyUTLPIPLWZLYCNW-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N'-[(2,5-dichlorothiophen-3-yl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114021220
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691132
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9136479
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62592250) is N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is COc1ccc(Cl)cc1CN(C)CCNCC(C)C.
What is the InChIKey of N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is UTLPIPLWZLYCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-12(2)10-17-7-8-18(3)11-13-9-14(16)5-6-15(13)19-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3.
What are the key properties of N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62592250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).