N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

C16H21ClFNO — CID 103041206

IUPACN-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CNC1CC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H21ClFNO/c1-11-16(6-7-20-11,10-19-13-3-4-13)9-12-2-5-15(18)14(17)8-12/h2,5,8,11,13,19H,3-4,6-7,9-10H2,1H3
InChIKeyAKFJDZDDPDKVJG-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.57
Rot. Bonds5

About N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (PubChem CID 103041206) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
PubChem CID103041206
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC NameN-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CNC1CC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H21ClFNO/c1-11-16(6-7-20-11,10-19-13-3-4-13)9-12-2-5-15(18)14(17)8-12/h2,5,8,11,13,19H,3-4,6-7,9-10H2,1H3
InChIKeyAKFJDZDDPDKVJG-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine 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

(1R,6S)-6-(3-chloro-4-fluorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 24803185
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029304
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029512
1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029513
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029528
1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029529
1-(3-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103029547
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029548
1-(3-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029549
1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031260

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (CID 103041206) is N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is CC1OCCC1(CNC1CC1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is AKFJDZDDPDKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-11-16(6-7-20-11,10-19-13-3-4-13)9-12-2-5-15(18)14(17)8-12/h2,5,8,11,13,19H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 297.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103041206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).