3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine

C14H22N2O — CID 114165383

IUPAC3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
SMILESCOc1ccccc1CCNC1CCC(N)C1
InChIInChI=1S/C14H22N2O/c1-17-14-5-3-2-4-11(14)8-9-16-13-7-6-12(15)10-13/h2-5,12-13,16H,6-10,15H2,1H3
InChIKeyRZAOZDWVDCOOPE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.71
Rot. Bonds5

About 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine

3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine (PubChem CID 114165383) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
PubChem CID114165383
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
SMILESCOc1ccccc1CCNC1CCC(N)C1
InChIInChI=1S/C14H22N2O/c1-17-14-5-3-2-4-11(14)8-9-16-13-7-6-12(15)10-13/h2-5,12-13,16H,6-10,15H2,1H3
InChIKeyRZAOZDWVDCOOPE-UHFFFAOYSA-N
XLogP1.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine (CID 114165383) is 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine is COc1ccccc1CCNC1CCC(N)C1.
What is the InChIKey of 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine?
The InChIKey is RZAOZDWVDCOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-5-3-2-4-11(14)8-9-16-13-7-6-12(15)10-13/h2-5,12-13,16H,6-10,15H2,1H3.
What are the key properties of 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine?
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 114165383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).