5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine

C16H22ClN — CID 115348749

IUPAC5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCC1CCCCC1)C2
InChIInChI=1S/C16H22ClN/c17-15-7-6-13-9-16(10-14(13)8-15)18-11-12-4-2-1-3-5-12/h6-8,12,16,18H,1-5,9-11H2
InChIKeyNWTWQXVIPHUUGQ-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348749) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115348749
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCC1CCCCC1)C2
InChIInChI=1S/C16H22ClN/c17-15-7-6-13-9-16(10-14(13)8-15)18-11-12-4-2-1-3-5-12/h6-8,12,16,18H,1-5,9-11H2
InChIKeyNWTWQXVIPHUUGQ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(2-cyclohexylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348932
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300825
5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348711
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 81300280
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 81337822
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 81332711
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
CID 115720479
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
CID 113291766
5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107094112

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 115348749) is 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCC1CCCCC1)C2.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NWTWQXVIPHUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-15-7-6-13-9-16(10-14(13)8-15)18-11-12-4-2-1-3-5-12/h6-8,12,16,18H,1-5,9-11H2.
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 263.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).