2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H17Cl2N — CID 46230878

IUPAC2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N/c18-14-8-7-12(16(19)10-14)9-13-6-5-11-3-1-2-4-15(11)17(13)20/h1-4,7-8,10,13,17H,5-6,9,20H2
InChIKeyNESMRJGNBZUKJD-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.80
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 46230878) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID46230878
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N/c18-14-8-7-12(16(19)10-14)9-13-6-5-11-3-1-2-4-15(11)17(13)20/h1-4,7-8,10,13,17H,5-6,9,20H2
InChIKeyNESMRJGNBZUKJD-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
6-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115983185
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7320166
2-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 126460273
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64657542
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 102616734
5-chloro-6-[(2-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63460777
5-bromo-6-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 114857930

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 46230878) is 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NESMRJGNBZUKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c18-14-8-7-12(16(19)10-14)9-13-6-5-11-3-1-2-4-15(11)17(13)20/h1-4,7-8,10,13,17H,5-6,9,20H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 306.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 46230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).