N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine

C17H19ClFNS — CID 107368903

IUPACN-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2cc(F)cc(Cl)c2)s1)C1CC1
InChIInChI=1S/C17H19ClFNS/c1-2-7-20-17(11-3-4-11)16-6-5-15(21-16)12-8-13(18)10-14(19)9-12/h5-6,8-11,17,20H,2-4,7H2,1H3
InChIKeyCKPZVYPXHUKSAX-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.66
Rot. Bonds6

About N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine

N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine (PubChem CID 107368903) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
PubChem CID107368903
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC NameN-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2cc(F)cc(Cl)c2)s1)C1CC1
InChIInChI=1S/C17H19ClFNS/c1-2-7-20-17(11-3-4-11)16-6-5-15(21-16)12-8-13(18)10-14(19)9-12/h5-6,8-11,17,20H,2-4,7H2,1H3
InChIKeyCKPZVYPXHUKSAX-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.86
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine with MolForge

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Related Compounds

N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645
N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287494
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 107368888
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine (CID 107368903) is N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine is CCCNC(c1ccc(-c2cc(F)cc(Cl)c2)s1)C1CC1.
What is the InChIKey of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
The InChIKey is CKPZVYPXHUKSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c1-2-7-20-17(11-3-4-11)16-6-5-15(21-16)12-8-13(18)10-14(19)9-12/h5-6,8-11,17,20H,2-4,7H2,1H3.
What are the key properties of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine has a molecular weight of 323.86 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 107368903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).