1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C19H21Cl2NO — CID 91180485

IUPAC1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)C(N(C)C)CC2
InChIInChI=1S/C19H21Cl2NO/c1-22(2)18-9-6-12-4-7-14(23-3)11-15(12)19(18)13-5-8-16(20)17(21)10-13/h4-5,7-8,10-11,18-19H,6,9H2,1-3H3
InChIKeyBMVHWSODKCPLDQ-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.01
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 91180485) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID91180485
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)C(N(C)C)CC2
InChIInChI=1S/C19H21Cl2NO/c1-22(2)18-9-6-12-4-7-14(23-3)11-15(12)19(18)13-5-8-16(20)17(21)10-13/h4-5,7-8,10-11,18-19H,6,9H2,1-3H3
InChIKeyBMVHWSODKCPLDQ-UHFFFAOYSA-N
XLogP5.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
(1S,2S)-1-(4-chloro-3-methoxyphenyl)-N-(2,2-dimethoxyethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10894424
(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159852453
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
2-N-(cyclopropylmethyl)-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79247986
6-methoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 15576006
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-N-cyclopentyl-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79232382
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 91180485) is 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)C(N(C)C)CC2.
What is the InChIKey of 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BMVHWSODKCPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-22(2)18-9-6-12-4-7-14(23-3)11-15(12)19(18)13-5-8-16(20)17(21)10-13/h4-5,7-8,10-11,18-19H,6,9H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 350.29 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 91180485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).