3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine

C16H21NO2 — CID 103081772

IUPAC3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
SMILESC#CCOc1ccccc1CNC1CCC(OC)C1
InChIInChI=1S/C16H21NO2/c1-3-10-19-16-7-5-4-6-13(16)12-17-14-8-9-15(11-14)18-2/h1,4-7,14-15,17H,8-12H2,2H3
InChIKeyQDIJWWJJNFLHAZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds6

About 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine

3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 103081772) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID103081772
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
SMILESC#CCOc1ccccc1CNC1CCC(OC)C1
InChIInChI=1S/C16H21NO2/c1-3-10-19-16-7-5-4-6-13(16)12-17-14-8-9-15(11-14)18-2/h1,4-7,14-15,17H,8-12H2,2H3
InChIKeyQDIJWWJJNFLHAZ-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 28718379
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146
4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
CID 114155088
N-[(2-prop-2-ynoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601915
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine (CID 103081772) is 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine is C#CCOc1ccccc1CNC1CCC(OC)C1.
What is the InChIKey of 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is QDIJWWJJNFLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-10-19-16-7-5-4-6-13(16)12-17-14-8-9-15(11-14)18-2/h1,4-7,14-15,17H,8-12H2,2H3.
What are the key properties of 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine?
3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103081772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).