N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine

C14H22N2O — CID 60984762

IUPACN-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccccc1C(CN)N(C)CC1CC1
InChIInChI=1S/C14H22N2O/c1-16(10-11-7-8-11)13(9-15)12-5-3-4-6-14(12)17-2/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyMYJYRISYEWYOTQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.04
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 60984762) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID60984762
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccccc1C(CN)N(C)CC1CC1
InChIInChI=1S/C14H22N2O/c1-16(10-11-7-8-11)13(9-15)12-5-3-4-6-14(12)17-2/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyMYJYRISYEWYOTQ-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55021597
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937
1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60890601
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879579
N-(1,1-dioxothiolan-3-yl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 43648599
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725960

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine (CID 60984762) is N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine is COc1ccccc1C(CN)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is MYJYRISYEWYOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(10-11-7-8-11)13(9-15)12-5-3-4-6-14(12)17-2/h3-6,11,13H,7-10,15H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 60984762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).