N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

C14H17ClFNO — CID 61282881

IUPACN-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(Cl)cc(F)cc2c1C
InChIInChI=1S/C14H17ClFNO/c1-4-5-17-9(3)13-8(2)11-6-10(16)7-12(15)14(11)18-13/h6-7,9,17H,4-5H2,1-3H3
InChIKeyYXYCPDILELVPCN-UHFFFAOYSA-N
MW269.75 g/mol
LogP4.59
Rot. Bonds4

About N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 61282881) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID61282881
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(Cl)cc(F)cc2c1C
InChIInChI=1S/C14H17ClFNO/c1-4-5-17-9(3)13-8(2)11-6-10(16)7-12(15)14(11)18-13/h6-7,9,17H,4-5H2,1-3H3
InChIKeyYXYCPDILELVPCN-UHFFFAOYSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-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

3-{[(7-Chloro-1-benzofuran-2-yl)methyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454452
7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 16547666
N'-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine;hydrochloride
CID 44522287
N-[[5-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137661201
7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 24978680
1-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-methylmethanamine
CID 4724564
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 4724571
7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 8010960
[1-(1-Benzofuran-2-yl)ethyl](ethyl)amine
CID 24709506
2-(2-allyl-6-chlorophenoxy)-N-(2-furylmethyl)ethanamine
CID 2993796
N-[[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methyl]pentan-3-amine
CID 6620745
N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}ethanamine
CID 4724565

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 61282881) is N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2c(Cl)cc(F)cc2c1C.
What is the InChIKey of N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is YXYCPDILELVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-4-5-17-9(3)13-8(2)11-6-10(16)7-12(15)14(11)18-13/h6-7,9,17H,4-5H2,1-3H3.
What are the key properties of N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 269.75 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61282881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).