(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C18H20ClN — CID 115483649

IUPAC(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCc1cc(Cl)c(C(N)c2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C18H20ClN/c1-11-8-16(17(19)9-12(11)2)18(20)15-7-6-13-4-3-5-14(13)10-15/h6-10,18H,3-5,20H2,1-2H3
InChIKeyPLZZQDOBPKSXED-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.49
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 115483649) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID115483649
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCc1cc(Cl)c(C(N)c2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C18H20ClN/c1-11-8-16(17(19)9-12(11)2)18(20)15-7-6-13-4-3-5-14(13)10-15/h6-10,18H,3-5,20H2,1-2H3
InChIKeyPLZZQDOBPKSXED-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 115483649) is (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is Cc1cc(Cl)c(C(N)c2ccc3c(c2)CCC3)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is PLZZQDOBPKSXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-11-8-16(17(19)9-12(11)2)18(20)15-7-6-13-4-3-5-14(13)10-15/h6-10,18H,3-5,20H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 115483649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).