N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine

C14H20ClNO — CID 66006279

IUPACN-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2CC(Cl)C2)cc1
InChIInChI=1S/C14H20ClNO/c1-17-14-4-2-11(3-5-14)6-7-16-10-12-8-13(15)9-12/h2-5,12-13,16H,6-10H2,1H3
InChIKeyLEZBFMBQRIZJGD-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.84
Rot. Bonds6

About N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine

N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 66006279) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID66006279
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2CC(Cl)C2)cc1
InChIInChI=1S/C14H20ClNO/c1-17-14-4-2-11(3-5-14)6-7-16-10-12-8-13(15)9-12/h2-5,12-13,16H,6-10H2,1H3
InChIKeyLEZBFMBQRIZJGD-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 158233978
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine (CID 66006279) is N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCC2CC(Cl)C2)cc1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is LEZBFMBQRIZJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-14-4-2-11(3-5-14)6-7-16-10-12-8-13(15)9-12/h2-5,12-13,16H,6-10H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine?
N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 66006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).