2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline

C17H18ClN — CID 107634326

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18ClN/c1-12-5-8-16(18)17(9-12)19-11-13-6-7-14-3-2-4-15(14)10-13/h5-10,19H,2-4,11H2,1H3
InChIKeyPQRCJPDOTKTBKP-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.75
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline

2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline (PubChem CID 107634326) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
PubChem CID107634326
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18ClN/c1-12-5-8-16(18)17(9-12)19-11-13-6-7-14-3-2-4-15(14)10-13/h5-10,19H,2-4,11H2,1H3
InChIKeyPQRCJPDOTKTBKP-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-chloro-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107630649
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
2-chloro-N-[(4-chloro-3-nitrophenyl)methyl]-5-methylaniline
CID 107634704
2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 81280104
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
1,2-dichlorobenzene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 143596446
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 106857743
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline (CID 107634326) is 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline is Cc1ccc(Cl)c(NCc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline?
The InChIKey is PQRCJPDOTKTBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-5-8-16(18)17(9-12)19-11-13-6-7-14-3-2-4-15(14)10-13/h5-10,19H,2-4,11H2,1H3.
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline?
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline has a molecular weight of 271.79 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline is sourced from PubChem (CID 107634326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).