1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine

C16H25NO2 — CID 66324411

IUPAC1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOCC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-17-12-14-6-8-16(9-7-14)19-11-10-18-13-15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3
InChIKeyFBYKTELDXBYTGP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds8

About 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine

1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 66324411) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID66324411
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOCC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-17-12-14-6-8-16(9-7-14)19-11-10-18-13-15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3
InChIKeyFBYKTELDXBYTGP-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
4-[3-(cyclohexylmethoxy)propoxy]benzonitrile
CID 62381881
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66322876
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62431792
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62784164
1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-1-(propan-2-ylamino)propan-2-ol
CID 67900833

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine (CID 66324411) is 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCOCC2CCCC2)cc1.
What is the InChIKey of 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is FBYKTELDXBYTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-12-14-6-8-16(9-7-14)19-11-10-18-13-15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3.
What are the key properties of 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66324411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).