(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride

C19H24ClN — CID 45260913

IUPAC(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@]1(C)Cc2ccccc2[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H23N.ClH/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15;/h4-12,18H,13-14H2,1-3H3;1H/t18-,19-;/m0./s1
InChIKeyAMPNBSZIVADIQM-HLRBRJAUSA-N
MW301.86 g/mol
LogP4.51
Rot. Bonds2

About (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride

(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride (PubChem CID 45260913) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
PubChem CID45260913
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@]1(C)Cc2ccccc2[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H23N.ClH/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15;/h4-12,18H,13-14H2,1-3H3;1H/t18-,19-;/m0./s1
InChIKeyAMPNBSZIVADIQM-HLRBRJAUSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Melitracene
CID 25382
Melitracen Hydrochloride
CID 25381
(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10106214
9,10-dihydro-N,N-dimethyl-9-anthracenepropanamine
CID 10333104
4-(10H-anthracen-9-ylidene)-1-methyl-piperidine
CID 10468648
n,n-Dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 242461
1-Phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene
CID 10015055
(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10037815
N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 132954
(2S)-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10402615
(S)-5-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11186985
n,n-Dimethyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 20111627

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
The IUPAC name of (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride (CID 45260913) is (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride is CN(C)[C@@]1(C)Cc2ccccc2[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
The InChIKey is AMPNBSZIVADIQM-HLRBRJAUSA-N. The full InChI is InChI=1S/C19H23N.ClH/c1-19(20(2)3)13-16-11-7-8-12-17(16)18(14-19)15-9-5-4-6-10-15;/h4-12,18H,13-14H2,1-3H3;1H/t18-,19-;/m0./s1.
What are the key properties of (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride is sourced from PubChem (CID 45260913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).