N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine

C15H21ClFN — CID 66429947

IUPACN-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2c(F)cccc2Cl)CCC1C
InChIInChI=1S/C15H21ClFN/c1-3-9-18-10-15(8-7-11(15)2)14-12(16)5-4-6-13(14)17/h4-6,11,18H,3,7-10H2,1-2H3
InChIKeyRFLAVDSMKBCXOM-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.15
Rot. Bonds5

About N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine

N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine (PubChem CID 66429947) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
PubChem CID66429947
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2c(F)cccc2Cl)CCC1C
InChIInChI=1S/C15H21ClFN/c1-3-9-18-10-15(8-7-11(15)2)14-12(16)5-4-6-13(14)17/h4-6,11,18H,3,7-10H2,1-2H3
InChIKeyRFLAVDSMKBCXOM-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008933
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64998005
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938
1-(2-chloro-6-fluorophenyl)-2-methylcyclobutan-1-amine
CID 66431353
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine
CID 79679814
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine (CID 66429947) is N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2c(F)cccc2Cl)CCC1C.
What is the InChIKey of N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The InChIKey is RFLAVDSMKBCXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-9-18-10-15(8-7-11(15)2)14-12(16)5-4-6-13(14)17/h4-6,11,18H,3,7-10H2,1-2H3.
What are the key properties of N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 66429947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).