(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H18ClN — CID 115417703

IUPAC(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(Cl)c(C)c2c1C(C)CC[C@@H]2N
InChIInChI=1S/C13H18ClN/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7,11H,4-5,15H2,1-3H3/t7?,11-/m0/s1
InChIKeyZJOHGCSDUQPTCH-QRIDDKLISA-N
MW223.75 g/mol
LogP3.85
Rot. Bonds

About (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417703) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417703
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(Cl)c(C)c2c1C(C)CC[C@@H]2N
InChIInChI=1S/C13H18ClN/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7,11H,4-5,15H2,1-3H3/t7?,11-/m0/s1
InChIKeyZJOHGCSDUQPTCH-QRIDDKLISA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417912
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417474
7-chloro-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417705
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417433
(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
(1S)-6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838335
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
CID 113305819
6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838334
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 91618885

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417703) is (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(Cl)c(C)c2c1C(C)CC[C@@H]2N.
What is the InChIKey of (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZJOHGCSDUQPTCH-QRIDDKLISA-N. The full InChI is InChI=1S/C13H18ClN/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7,11H,4-5,15H2,1-3H3/t7?,11-/m0/s1.
What are the key properties of (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).