N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine

C11H17ClN2O — CID 115693309

IUPACN-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine
SMILESCn1cc(Cl)cc1CNC1CCOCC1
InChIInChI=1S/C11H17ClN2O/c1-14-8-9(12)6-11(14)7-13-10-2-4-15-5-3-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyZFMHKZHFQVLUQL-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.95
Rot. Bonds3

About N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine (PubChem CID 115693309) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine
PubChem CID115693309
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine
SMILESCn1cc(Cl)cc1CNC1CCOCC1
InChIInChI=1S/C11H17ClN2O/c1-14-8-9(12)6-11(14)7-13-10-2-4-15-5-3-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyZFMHKZHFQVLUQL-UHFFFAOYSA-N
XLogP1.95
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-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-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine
CID 43778528
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[(4-bromo-2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 171906168
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxan-4-amine
CID 64988294

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine (CID 115693309) is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine is Cn1cc(Cl)cc1CNC1CCOCC1.
What is the InChIKey of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine?
The InChIKey is ZFMHKZHFQVLUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14-8-9(12)6-11(14)7-13-10-2-4-15-5-3-10/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine?
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine has a molecular weight of 228.72 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115693309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).