N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine

C14H20ClNO — CID 39760880

IUPACN-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
SMILESCc1cccc(Cl)c1OCCNC1CCCC1
InChIInChI=1S/C14H20ClNO/c1-11-5-4-8-13(15)14(11)17-10-9-16-12-6-2-3-7-12/h4-5,8,12,16H,2-3,6-7,9-10H2,1H3
InChIKeySYWRXRIZGMQPSF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine

N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine (PubChem CID 39760880) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
PubChem CID39760880
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
SMILESCc1cccc(Cl)c1OCCNC1CCCC1
InChIInChI=1S/C14H20ClNO/c1-11-5-4-8-13(15)14(11)17-10-9-16-12-6-2-3-7-12/h4-5,8,12,16H,2-3,6-7,9-10H2,1H3
InChIKeySYWRXRIZGMQPSF-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
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-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol
CID 57393382
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
3-(2-chloro-6-methylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4154911
N-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]cyclopentanamine
CID 63516390
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine (CID 39760880) is N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine is Cc1cccc(Cl)c1OCCNC1CCCC1.
What is the InChIKey of N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine?
The InChIKey is SYWRXRIZGMQPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-5-4-8-13(15)14(11)17-10-9-16-12-6-2-3-7-12/h4-5,8,12,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine?
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine is sourced from PubChem (CID 39760880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).