N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine

C16H26N2O — CID 115207128

IUPACN-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CCN(C)CCNC2CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-13-12-14(4-7-16(13)19-3)8-10-18(2)11-9-17-15-5-6-15/h4,7,12,15,17H,5-6,8-11H2,1-3H3
InChIKeyIBBRLWFTASCHLC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds8

About N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 115207128) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID115207128
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CCN(C)CCNC2CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-13-12-14(4-7-16(13)19-3)8-10-18(2)11-9-17-15-5-6-15/h4,7,12,15,17H,5-6,8-11H2,1-3H3
InChIKeyIBBRLWFTASCHLC-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207139
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 115214350
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 115206845
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
CID 112518040
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine (CID 115207128) is N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine is COc1ccc(CCN(C)CCNC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is IBBRLWFTASCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-12-14(4-7-16(13)19-3)8-10-18(2)11-9-17-15-5-6-15/h4,7,12,15,17H,5-6,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115207128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).