N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine

C12H13FN2 — CID 117173075

IUPACN-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine
SMILESFc1cccc2[nH]c(CNC3CC3)cc12
InChIInChI=1S/C12H13FN2/c13-11-2-1-3-12-10(11)6-9(15-12)7-14-8-4-5-8/h1-3,6,8,14-15H,4-5,7H2
InChIKeyZQXAMHVBGVPJPR-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.56
Rot. Bonds3

About N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine

N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine (PubChem CID 117173075) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine
PubChem CID117173075
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC NameN-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine
SMILESFc1cccc2[nH]c(CNC3CC3)cc12
InChIInChI=1S/C12H13FN2/c13-11-2-1-3-12-10(11)6-9(15-12)7-14-8-4-5-8/h1-3,6,8,14-15H,4-5,7H2
InChIKeyZQXAMHVBGVPJPR-UHFFFAOYSA-N
XLogP2.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
N-[(6-fluoro-1H-indol-2-yl)methyl]cyclopentanamine
CID 117180030
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426
4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 47151029
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
CID 112609785
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109033
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine (CID 117173075) is N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine is Fc1cccc2[nH]c(CNC3CC3)cc12.
What is the InChIKey of N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine?
The InChIKey is ZQXAMHVBGVPJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-2-1-3-12-10(11)6-9(15-12)7-14-8-4-5-8/h1-3,6,8,14-15H,4-5,7H2.
What are the key properties of N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine?
N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine has a molecular weight of 204.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-indol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 117173075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).