(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C16H15Cl2N — CID 43115602

IUPAC(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15Cl2N/c17-14-7-13(8-15(18)9-14)16(19)12-5-4-10-2-1-3-11(10)6-12/h4-9,16H,1-3,19H2
InChIKeyPYCNMTQAPJFXHC-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.53
Rot. Bonds2

About (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 43115602) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID43115602
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15Cl2N/c17-14-7-13(8-15(18)9-14)16(19)12-5-4-10-2-1-3-11(10)6-12/h4-9,16H,1-3,19H2
InChIKeyPYCNMTQAPJFXHC-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 80530682
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 104851102
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
CID 105018656
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 43115602) is (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is NC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is PYCNMTQAPJFXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-14-7-13(8-15(18)9-14)16(19)12-5-4-10-2-1-3-11(10)6-12/h4-9,16H,1-3,19H2.
What are the key properties of (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 292.21 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 43115602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).