1-benzyl-5-chloro-2,3-dihydroindol-3-amine

C15H15ClN2 — CID 45043255

IUPAC1-benzyl-5-chloro-2,3-dihydroindol-3-amine
SMILESNC1CN(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2/c16-12-6-7-15-13(8-12)14(17)10-18(15)9-11-4-2-1-3-5-11/h1-8,14H,9-10,17H2
InChIKeyAPMIEMZYYXHPSY-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.36
Rot. Bonds2

About 1-benzyl-5-chloro-2,3-dihydroindol-3-amine

1-benzyl-5-chloro-2,3-dihydroindol-3-amine (PubChem CID 45043255) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2,3-dihydroindol-3-amine.

Molecular Properties

Compound Name1-benzyl-5-chloro-2,3-dihydroindol-3-amine
PubChem CID45043255
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-benzyl-5-chloro-2,3-dihydroindol-3-amine
SMILESNC1CN(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2/c16-12-6-7-15-13(8-12)14(17)10-18(15)9-11-4-2-1-3-5-11/h1-8,14H,9-10,17H2
InChIKeyAPMIEMZYYXHPSY-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235465
1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride
CID 76853797
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 59367840
1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride
CID 76853791
5-chloro-1-cyclopentyl-2,3-dihydroindol-3-amine
CID 45043254
3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one
CID 43254915
(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
CID 15437709
3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 83233282
2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 65477648

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2,3-dihydroindol-3-amine?
The IUPAC name of 1-benzyl-5-chloro-2,3-dihydroindol-3-amine (CID 45043255) is 1-benzyl-5-chloro-2,3-dihydroindol-3-amine.
What is the SMILES notation for 1-benzyl-5-chloro-2,3-dihydroindol-3-amine?
The canonical SMILES for 1-benzyl-5-chloro-2,3-dihydroindol-3-amine is NC1CN(Cc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 1-benzyl-5-chloro-2,3-dihydroindol-3-amine?
The InChIKey is APMIEMZYYXHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-12-6-7-15-13(8-12)14(17)10-18(15)9-11-4-2-1-3-5-11/h1-8,14H,9-10,17H2.
What are the key properties of 1-benzyl-5-chloro-2,3-dihydroindol-3-amine?
1-benzyl-5-chloro-2,3-dihydroindol-3-amine has a molecular weight of 258.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2,3-dihydroindol-3-amine is sourced from PubChem (CID 45043255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).