N-[2-(3-methylphenoxy)ethyl]cyclopentanamine

C14H21NO — CID 54798962

IUPACN-[2-(3-methylphenoxy)ethyl]cyclopentanamine
SMILESCc1cccc(OCCNC2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-12-5-4-8-14(11-12)16-10-9-15-13-6-2-3-7-13/h4-5,8,11,13,15H,2-3,6-7,9-10H2,1H3
InChIKeyZZDXTAVHMGBGKR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(3-methylphenoxy)ethyl]cyclopentanamine

N-[2-(3-methylphenoxy)ethyl]cyclopentanamine (PubChem CID 54798962) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]cyclopentanamine
PubChem CID54798962
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(3-methylphenoxy)ethyl]cyclopentanamine
SMILESCc1cccc(OCCNC2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-12-5-4-8-14(11-12)16-10-9-15-13-6-2-3-7-13/h4-5,8,11,13,15H,2-3,6-7,9-10H2,1H3
InChIKeyZZDXTAVHMGBGKR-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
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

1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
2-[2-(3-methylphenoxy)ethylamino]cyclohexane-1-carbonitrile
CID 62741177
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951726
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
N-[2-(3-methylsulfonylphenoxy)ethyl]cycloheptanamine
CID 62583799
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
CID 62742075
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]cyclopentanamine (CID 54798962) is N-[2-(3-methylphenoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]cyclopentanamine is Cc1cccc(OCCNC2CCCC2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]cyclopentanamine?
The InChIKey is ZZDXTAVHMGBGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-5-4-8-14(11-12)16-10-9-15-13-6-2-3-7-13/h4-5,8,11,13,15H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]cyclopentanamine?
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]cyclopentanamine is sourced from PubChem (CID 54798962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).