(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine

C17H17Cl2N — CID 134340247

IUPAC(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC[C@@H](N)c2ccccc21
InChIInChI=1S/C17H17Cl2N/c1-17(11-6-7-14(18)15(19)10-11)9-8-16(20)12-4-2-3-5-13(12)17/h2-7,10,16H,8-9,20H2,1H3/t16-,17?/m1/s1
InChIKeyQKVPQPSCCBWQFT-TZHYSIJRSA-N
MW306.24 g/mol
LogP5.09
Rot. Bonds1

About (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine

(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 134340247) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID134340247
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC[C@@H](N)c2ccccc21
InChIInChI=1S/C17H17Cl2N/c1-17(11-6-7-14(18)15(19)10-11)9-8-16(20)12-4-2-3-5-13(12)17/h2-7,10,16H,8-9,20H2,1H3/t16-,17?/m1/s1
InChIKeyQKVPQPSCCBWQFT-TZHYSIJRSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine (CID 134340247) is (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(c2ccc(Cl)c(Cl)c2)CC[C@@H](N)c2ccccc21.
What is the InChIKey of (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is QKVPQPSCCBWQFT-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-17(11-6-7-14(18)15(19)10-11)9-8-16(20)12-4-2-3-5-13(12)17/h2-7,10,16H,8-9,20H2,1H3/t16-,17?/m1/s1.
What are the key properties of (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine?
(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 306.24 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 134340247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).