N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine

C16H25N3 — CID 105364289

IUPACN-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCN(C)Cc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H25N3/c1-18(2)11-13-3-5-15(6-4-13)17-16-8-10-19-9-7-14(16)12-19/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyINKUAXOKLABEBN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.25
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364289) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364289
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCN(C)Cc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H25N3/c1-18(2)11-13-3-5-15(6-4-13)17-16-8-10-19-9-7-14(16)12-19/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyINKUAXOKLABEBN-UHFFFAOYSA-N
XLogP2.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-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

2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617024
N-cyclohexyl-4-[(dimethylamino)methyl]aniline
CID 43747284
4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline
CID 43747227
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43684589
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenol
CID 105364646
2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105364252
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364289) is N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine is CN(C)Cc1ccc(NC2CCN3CCC2C3)cc1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is INKUAXOKLABEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)11-13-3-5-15(6-4-13)17-16-8-10-19-9-7-14(16)12-19/h3-6,14,16-17H,7-12H2,1-2H3.
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 259.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).