N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine

C12H18N2O — CID 62070325

IUPACN-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CC2)cc1
InChIInChI=1S/C12H18N2O/c1-15-11-6-2-9(3-7-11)12(8-13)14-10-4-5-10/h2-3,6-7,10,12,14H,4-5,8,13H2,1H3
InChIKeySERIWTABDBQTCN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.45
Rot. Bonds5

About N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine

N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 62070325) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID62070325
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CC2)cc1
InChIInChI=1S/C12H18N2O/c1-15-11-6-2-9(3-7-11)12(8-13)14-10-4-5-10/h2-3,6-7,10,12,14H,4-5,8,13H2,1H3
InChIKeySERIWTABDBQTCN-UHFFFAOYSA-N
XLogP1.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 55030697
N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030744
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol
CID 139003231
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine (CID 62070325) is N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is SERIWTABDBQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-11-6-2-9(3-7-11)12(8-13)14-10-4-5-10/h2-3,6-7,10,12,14H,4-5,8,13H2,1H3.
What are the key properties of N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62070325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).