4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C19H22ClN — CID 42601731

IUPAC4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(C2CC(N(C)C)Cc3ccccc32)cc1Cl
InChIInChI=1S/C19H22ClN/c1-13-8-9-15(11-19(13)20)18-12-16(21(2)3)10-14-6-4-5-7-17(14)18/h4-9,11,16,18H,10,12H2,1-3H3
InChIKeyFEPRGNVVORYVSN-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.66
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 42601731) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID42601731
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(C2CC(N(C)C)Cc3ccccc32)cc1Cl
InChIInChI=1S/C19H22ClN/c1-13-8-9-15(11-19(13)20)18-12-16(21(2)3)10-14-6-4-5-7-17(14)18/h4-9,11,16,18H,10,12H2,1-3H3
InChIKeyFEPRGNVVORYVSN-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601568
(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729275
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118729258
(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729243
(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638679
(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638669
3-chloro-8-(3-chlorophenyl)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 75282874
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260277
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
N,N-dimethyl-4-(1,4,7,10-tetrazacyclododec-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 140583940
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 42601731) is 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(C2CC(N(C)C)Cc3ccccc32)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FEPRGNVVORYVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-8-9-15(11-19(13)20)18-12-16(21(2)3)10-14-6-4-5-7-17(14)18/h4-9,11,16,18H,10,12H2,1-3H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 299.85 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 42601731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).