3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C14H20ClN — CID 18983551

IUPAC3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(Cl)c(N)cc21
InChIInChI=1S/C14H20ClN/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8H,5-6,16H2,1-4H3
InChIKeyNPIBGJQKCQIGKK-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.27
Rot. Bonds

About 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 18983551) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID18983551
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(Cl)c(N)cc21
InChIInChI=1S/C14H20ClN/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8H,5-6,16H2,1-4H3
InChIKeyNPIBGJQKCQIGKK-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 18983551) is 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(Cl)c(N)cc21.
What is the InChIKey of 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is NPIBGJQKCQIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8H,5-6,16H2,1-4H3.
What are the key properties of 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 237.77 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 18983551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).