7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H20ClN — CID 115417608

IUPAC7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN/c1-3-8-16-14-7-4-10(2)12-6-5-11(15)9-13(12)14/h5-6,9-10,14,16H,3-4,7-8H2,1-2H3
InChIKeyYPLMQUZUBMJISY-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.28
Rot. Bonds3

About 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417608) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417608
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN/c1-3-8-16-14-7-4-10(2)12-6-5-11(15)9-13(12)14/h5-6,9-10,14,16H,3-4,7-8H2,1-2H3
InChIKeyYPLMQUZUBMJISY-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417608) is 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCC(C)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YPLMQUZUBMJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-8-16-14-7-4-10(2)12-6-5-11(15)9-13(12)14/h5-6,9-10,14,16H,3-4,7-8H2,1-2H3.
What are the key properties of 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).