N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine

C15H12ClFN2 — CID 114841443

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
SMILESFc1cc(Cl)ccc1CNc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H12ClFN2/c16-12-2-1-11(14(17)8-12)9-19-13-3-4-15-10(7-13)5-6-18-15/h1-8,18-19H,9H2
InChIKeyOISLDCLGEHGTQA-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.57
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine

N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine (PubChem CID 114841443) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
PubChem CID114841443
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
SMILESFc1cc(Cl)ccc1CNc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H12ClFN2/c16-12-2-1-11(14(17)8-12)9-19-13-3-4-15-10(7-13)5-6-18-15/h1-8,18-19H,9H2
InChIKeyOISLDCLGEHGTQA-UHFFFAOYSA-N
XLogP4.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-[(4-chloro-2-fluorophenyl)methyl]-4-(difluoromethoxy)-3-fluoroaniline
CID 114842079
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
N-[(2-nitrophenyl)methyl]-1H-indol-5-amine
CID 28662656
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine (CID 114841443) is N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine is Fc1cc(Cl)ccc1CNc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine?
The InChIKey is OISLDCLGEHGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-12-2-1-11(14(17)8-12)9-19-13-3-4-15-10(7-13)5-6-18-15/h1-8,18-19H,9H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine has a molecular weight of 274.73 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine is sourced from PubChem (CID 114841443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).