(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C17H17Cl2N — CID 107126530

IUPAC(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1Cl)C1CCc2ccccc2C1
InChIInChI=1S/C17H17Cl2N/c18-14-7-8-15(16(19)10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,17H,5-6,9,20H2
InChIKeyHIKWQOXTNVCPLV-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.80
Rot. Bonds2

About (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107126530) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107126530
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1Cl)C1CCc2ccccc2C1
InChIInChI=1S/C17H17Cl2N/c18-14-7-8-15(16(19)10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,17H,5-6,9,20H2
InChIKeyHIKWQOXTNVCPLV-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-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126524
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 107126496
2,3-dihydro-1H-inden-5-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126500
4-[amino(cyclopropyl)methyl]-3-chloroaniline
CID 55268901
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 107126530) is (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is NC(c1ccc(Cl)cc1Cl)C1CCc2ccccc2C1.
What is the InChIKey of (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is HIKWQOXTNVCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c18-14-7-8-15(16(19)10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,17H,5-6,9,20H2.
What are the key properties of (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine 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 (2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107126530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).