N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine

C14H22N2O2 — CID 112690313

IUPACN'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(OC)c(CNCCNC2CC2)c1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-6-14(18-2)11(9-13)10-15-7-8-16-12-3-4-12/h5-6,9,12,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyBCPKMBKAGFQMJL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.55
Rot. Bonds8

About N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 112690313) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID112690313
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(OC)c(CNCCNC2CC2)c1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-6-14(18-2)11(9-13)10-15-7-8-16-12-3-4-12/h5-6,9,12,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyBCPKMBKAGFQMJL-UHFFFAOYSA-N
XLogP1.55
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine (CID 112690313) is N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine is COc1ccc(OC)c(CNCCNC2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is BCPKMBKAGFQMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-13-5-6-14(18-2)11(9-13)10-15-7-8-16-12-3-4-12/h5-6,9,12,15-16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 112690313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).