2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

C17H23NO — CID 60733626

IUPAC2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CNCCC1CCCC1
InChIInChI=1S/C17H23NO/c1-2-13-19-17-10-6-5-9-16(17)14-18-12-11-15-7-3-4-8-15/h1,5-6,9-10,15,18H,3-4,7-8,11-14H2
InChIKeyMIUWHIDKYZQMOM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.37
Rot. Bonds7

About 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine

2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (PubChem CID 60733626) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
PubChem CID60733626
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccccc1CNCCC1CCCC1
InChIInChI=1S/C17H23NO/c1-2-13-19-17-10-6-5-9-16(17)14-18-12-11-15-7-3-4-8-15/h1,5-6,9-10,15,18H,3-4,7-8,11-14H2
InChIKeyMIUWHIDKYZQMOM-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
3-piperidin-1-yl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 28657649
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
N-[(2-prop-2-ynoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733192
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
3-methylsulfonyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 54904630
N-[2-[(2-prop-2-ynoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732455
1-(1-ethylpyrrolidin-2-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 43180690
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28618409

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine (CID 60733626) is 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is C#CCOc1ccccc1CNCCC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
The InChIKey is MIUWHIDKYZQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-13-19-17-10-6-5-9-16(17)14-18-12-11-15-7-3-4-8-15/h1,5-6,9-10,15,18H,3-4,7-8,11-14H2.
What are the key properties of 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine?
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).