N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine

C18H29FN2 — CID 62608952

IUPACN-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)Cc1ccccc1F
InChIInChI=1S/C18H29FN2/c1-3-20-18-12-6-4-5-10-16(18)14-21(2)13-15-9-7-8-11-17(15)19/h7-9,11,16,18,20H,3-6,10,12-14H2,1-2H3
InChIKeyYWTSCOSWBIMIAP-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.82
Rot. Bonds6

About N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine

N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine (PubChem CID 62608952) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
PubChem CID62608952
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)Cc1ccccc1F
InChIInChI=1S/C18H29FN2/c1-3-20-18-12-6-4-5-10-16(18)14-21(2)13-15-9-7-8-11-17(15)19/h7-9,11,16,18,20H,3-6,10,12-14H2,1-2H3
InChIKeyYWTSCOSWBIMIAP-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
CID 62610200
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethylcycloheptan-1-amine
CID 63493297
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406
2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]cyclohexan-1-ol
CID 102636948
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine (CID 62608952) is N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)Cc1ccccc1F.
What is the InChIKey of N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
The InChIKey is YWTSCOSWBIMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-20-18-12-6-4-5-10-16(18)14-21(2)13-15-9-7-8-11-17(15)19/h7-9,11,16,18,20H,3-6,10,12-14H2,1-2H3.
What are the key properties of N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine?
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62608952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).