2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine

C17H25NO — CID 79983771

IUPAC2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
SMILESc1cc(C2CC2)ccc1CNCCOC1CCCC1
InChIInChI=1S/C17H25NO/c1-2-4-17(3-1)19-12-11-18-13-14-5-7-15(8-6-14)16-9-10-16/h5-8,16-18H,1-4,9-13H2
InChIKeyGHDREPNWPBGGDM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds7

About 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine

2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine (PubChem CID 79983771) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
PubChem CID79983771
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
SMILESc1cc(C2CC2)ccc1CNCCOC1CCCC1
InChIInChI=1S/C17H25NO/c1-2-4-17(3-1)19-12-11-18-13-14-5-7-15(8-6-14)16-9-10-16/h5-8,16-18H,1-4,9-13H2
InChIKeyGHDREPNWPBGGDM-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile
CID 63825153
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115767735
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66416757
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine (CID 79983771) is 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine is c1cc(C2CC2)ccc1CNCCOC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is GHDREPNWPBGGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-4-17(3-1)19-12-11-18-13-14-5-7-15(8-6-14)16-9-10-16/h5-8,16-18H,1-4,9-13H2.
What are the key properties of 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine?
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 79983771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).