N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine

C18H27FN2 — CID 56714946

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCc1cc(CNC2CCC3(CCNCC3)CC2)ccc1F
InChIInChI=1S/C18H27FN2/c1-14-12-15(2-3-17(14)19)13-21-16-4-6-18(7-5-16)8-10-20-11-9-18/h2-3,12,16,20-21H,4-11,13H2,1H3
InChIKeyRCWDWHJUNAYECB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.54
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56714946) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56714946
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCc1cc(CNC2CCC3(CCNCC3)CC2)ccc1F
InChIInChI=1S/C18H27FN2/c1-14-12-15(2-3-17(14)19)13-21-16-4-6-18(7-5-16)8-10-20-11-9-18/h2-3,12,16,20-21H,4-11,13H2,1H3
InChIKeyRCWDWHJUNAYECB-UHFFFAOYSA-N
XLogP3.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-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-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721681
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
9-(3-fluoro-4-methylphenyl)-3-azaspiro[5.5]undecane
CID 129110470
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56714946) is N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine is Cc1cc(CNC2CCC3(CCNCC3)CC2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is RCWDWHJUNAYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14-12-15(2-3-17(14)19)13-21-16-4-6-18(7-5-16)8-10-20-11-9-18/h2-3,12,16,20-21H,4-11,13H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 290.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56714946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).