1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine

C24H25ClN2 — CID 24991697

IUPAC1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESC[C@H](c1ccccc1)N(C)c1ccc2c(c1)C(Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C24H25ClN2/c1-17(18-7-4-3-5-8-18)27(2)22-13-11-19-12-14-24(23(19)16-22)26-21-10-6-9-20(25)15-21/h3-11,13,15-17,24,26H,12,14H2,1-2H3/t17-,24?/m1/s1
InChIKeyGPXOQZOKCNOTBM-BPNWFJGMSA-N
MW376.93 g/mol
LogP6.64
Rot. Bonds5

About 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine

1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 24991697) has the molecular formula C24H25ClN2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID24991697
Molecular FormulaC24H25ClN2
Molecular Weight376.93 g/mol
Exact Mass376.17
IUPAC Name1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine
SMILESC[C@H](c1ccccc1)N(C)c1ccc2c(c1)C(Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C24H25ClN2/c1-17(18-7-4-3-5-8-18)27(2)22-13-11-19-12-14-24(23(19)16-22)26-21-10-6-9-20(25)15-21/h3-11,13,15-17,24,26H,12,14H2,1-2H3/t17-,24?/m1/s1
InChIKeyGPXOQZOKCNOTBM-BPNWFJGMSA-N
XLogP6.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 25096523
N-[1-(2-chlorophenyl)ethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
CID 86294717
9H-Fluoren-9-amine, N-(4-methylphenyl)-
CID 8328285
US9957261, Example 48
CID 118694703
US9957261, Example 75
CID 118694801
1-(3-Chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine
CID 3062497
N-[(4-chlorophenyl)methyl]-1-naphthalen-2-ylpyrrolidin-3-amine
CID 9862618
1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 2846557
Indan, 1-(p-tolylamino)-
CID 17986536
Indan, 1-(m-tolylamino)-
CID 43189723
N-[(1R)-1-(3-chlorophenyl)-3-phenylprop-2-ynyl]-2,3-dihydro-1H-isoindol-5-amine
CID 177664449
3-(3-chloro-4-fluorophenyl)-1-(9H-fluoren-2-yl)-1-[2-(propylamino)ethyl]urea
CID 10137999

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine (CID 24991697) is 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine is C[C@H](c1ccccc1)N(C)c1ccc2c(c1)C(Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is GPXOQZOKCNOTBM-BPNWFJGMSA-N. The full InChI is InChI=1S/C24H25ClN2/c1-17(18-7-4-3-5-8-18)27(2)22-13-11-19-12-14-24(23(19)16-22)26-21-10-6-9-20(25)15-21/h3-11,13,15-17,24,26H,12,14H2,1-2H3/t17-,24?/m1/s1.
What are the key properties of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine?
1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 376.93 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-6-N-methyl-6-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 24991697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).