(1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H18F3N — CID 13408718

IUPAC(1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H18F3N/c1-22-17-11-10-14(15-4-2-3-5-16(15)17)12-6-8-13(9-7-12)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3/t14-,17-/m0/s1
InChIKeyLUOOAAZGJZAWFG-YOEHRIQHSA-N
MW305.34 g/mol
LogP4.89
Rot. Bonds2

About (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 13408718) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID13408718
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name(1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H18F3N/c1-22-17-11-10-14(15-4-2-3-5-16(15)17)12-6-8-13(9-7-12)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3/t14-,17-/m0/s1
InChIKeyLUOOAAZGJZAWFG-YOEHRIQHSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cinacalcet
CID 156419
Cinacalcet Hydrochloride
CID 156418
Tametraline Hydrochloride
CID 104180
1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-
CID 3034724
Tametraline
CID 163308
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10060088
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
CID 10399921
(9,10-Dihydro-anthracen-9-ylmethyl)-methyl-amine
CID 44313266
9-(N-benzylaminomethyl)-9,10-dihydroanthracene
CID 44373281
9,10-dihydroanthracene(DHA), 2b
CID 44521012

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 13408718) is (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LUOOAAZGJZAWFG-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H18F3N/c1-22-17-11-10-14(15-4-2-3-5-16(15)17)12-6-8-13(9-7-12)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3/t14-,17-/m0/s1.
What are the key properties of (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.34 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 13408718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).