N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine

C15H22FN — CID 66432799

IUPACN-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cccc(F)c2)CCC1C
InChIInChI=1S/C15H22FN/c1-3-9-17-11-15(8-7-12(15)2)13-5-4-6-14(16)10-13/h4-6,10,12,17H,3,7-9,11H2,1-2H3
InChIKeyBDVLGVNKQUXKSK-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds5

About N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine

N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine (PubChem CID 66432799) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
PubChem CID66432799
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cccc(F)c2)CCC1C
InChIInChI=1S/C15H22FN/c1-3-9-17-11-15(8-7-12(15)2)13-5-4-6-14(16)10-13/h4-6,10,12,17H,3,7-9,11H2,1-2H3
InChIKeyBDVLGVNKQUXKSK-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.49
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-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
CID 113404857
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920
N-methyl-1-[2-methyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 66423749
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66426140
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
CID 66424740
N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63495148

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine (CID 66432799) is N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2cccc(F)c2)CCC1C.
What is the InChIKey of N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The InChIKey is BDVLGVNKQUXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-9-17-11-15(8-7-12(15)2)13-5-4-6-14(16)10-13/h4-6,10,12,17H,3,7-9,11H2,1-2H3.
What are the key properties of N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 66432799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).