N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine

C18H29FN2 — CID 107453578

IUPACN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCNCc1ccc(F)c(CN(C)C2CCC(C)CC2)c1
InChIInChI=1S/C18H29FN2/c1-4-20-12-15-7-10-18(19)16(11-15)13-21(3)17-8-5-14(2)6-9-17/h7,10-11,14,17,20H,4-6,8-9,12-13H2,1-3H3
InChIKeyWTRVMEMUUMXXBX-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.95
Rot. Bonds6

About N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine

N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 107453578) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID107453578
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCNCc1ccc(F)c(CN(C)C2CCC(C)CC2)c1
InChIInChI=1S/C18H29FN2/c1-4-20-12-15-7-10-18(19)16(11-15)13-21(3)17-8-5-14(2)6-9-17/h7,10-11,14,17,20H,4-6,8-9,12-13H2,1-3H3
InChIKeyWTRVMEMUUMXXBX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79187108
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 107455464
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine (CID 107453578) is N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine is CCNCc1ccc(F)c(CN(C)C2CCC(C)CC2)c1.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is WTRVMEMUUMXXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-20-12-15-7-10-18(19)16(11-15)13-21(3)17-8-5-14(2)6-9-17/h7,10-11,14,17,20H,4-6,8-9,12-13H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107453578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).