N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine

C14H20FN — CID 115968246

IUPACN-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
SMILESCCC1(CNCc2cc(F)ccc2C)CC1
InChIInChI=1S/C14H20FN/c1-3-14(6-7-14)10-16-9-12-8-13(15)5-4-11(12)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyKPSXDLNDPJFYDA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.41
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine

N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 115968246) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
PubChem CID115968246
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
SMILESCCC1(CNCc2cc(F)ccc2C)CC1
InChIInChI=1S/C14H20FN/c1-3-14(6-7-14)10-16-9-12-8-13(15)5-4-11(12)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyKPSXDLNDPJFYDA-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115967895
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,5-difluorophenyl)methanamine
CID 114757613
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-fluoro-2-methoxyphenyl)methanamine
CID 115244075
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine (CID 115968246) is N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine is CCC1(CNCc2cc(F)ccc2C)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is KPSXDLNDPJFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-14(6-7-14)10-16-9-12-8-13(15)5-4-11(12)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine?
N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115968246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).