N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine

C14H19ClFNO — CID 114275214

IUPACN-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1Cl)C1(OC)CCC1
InChIInChI=1S/C14H19ClFNO/c1-3-17-13(14(18-2)8-5-9-14)12-10(15)6-4-7-11(12)16/h4,6-7,13,17H,3,5,8-9H2,1-2H3
InChIKeyMFSIUHPBYDUJBM-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.70
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine (PubChem CID 114275214) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
PubChem CID114275214
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1Cl)C1(OC)CCC1
InChIInChI=1S/C14H19ClFNO/c1-3-17-13(14(18-2)8-5-9-14)12-10(15)6-4-7-11(12)16/h4,6-7,13,17H,3,5,8-9H2,1-2H3
InChIKeyMFSIUHPBYDUJBM-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine (CID 114275214) is N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine is CCNC(c1c(F)cccc1Cl)C1(OC)CCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The InChIKey is MFSIUHPBYDUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-17-13(14(18-2)8-5-9-14)12-10(15)6-4-7-11(12)16/h4,6-7,13,17H,3,5,8-9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114275214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).