N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine

C14H20FNO — CID 83229768

IUPACN-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NOC2CCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-8-12(9-14(10)15)11(2)16-17-13-5-3-4-6-13/h7-9,11,13,16H,3-6H2,1-2H3
InChIKeyWDABVJRLQUHDPA-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.66
Rot. Bonds4

About N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine

N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 83229768) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID83229768
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NOC2CCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-8-12(9-14(10)15)11(2)16-17-13-5-3-4-6-13/h7-9,11,13,16H,3-6H2,1-2H3
InChIKeyWDABVJRLQUHDPA-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
N-cyclopentyloxy-1-(4-fluorophenyl)ethanamine
CID 83229680
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
N-cyclopentyloxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83228556
trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol
CID 104926585
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
N-cyclopentyloxy-1-pyridin-4-ylethanamine
CID 83229742
1-(3-fluoro-4-methylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600563
1-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80562217
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine (CID 83229768) is N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(C)NOC2CCCC2)cc1F.
What is the InChIKey of N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is WDABVJRLQUHDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-8-12(9-14(10)15)11(2)16-17-13-5-3-4-6-13/h7-9,11,13,16H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine?
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 83229768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).