1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine

C17H27NO — CID 57359538

IUPAC1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine
SMILESCCCCC1c2ccc(OC)cc2C(C)(C)CC1N
InChIInChI=1S/C17H27NO/c1-5-6-7-14-13-9-8-12(19-4)10-15(13)17(2,3)11-16(14)18/h8-10,14,16H,5-7,11,18H2,1-4H3
InChIKeyOSYDLVFHBOKGHT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds4

About 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine

1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine (PubChem CID 57359538) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine
PubChem CID57359538
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine
SMILESCCCCC1c2ccc(OC)cc2C(C)(C)CC1N
InChIInChI=1S/C17H27NO/c1-5-6-7-14-13-9-8-12(19-4)10-15(13)17(2,3)11-16(14)18/h8-10,14,16H,5-7,11,18H2,1-4H3
InChIKeyOSYDLVFHBOKGHT-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine (CID 57359538) is 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine is CCCCC1c2ccc(OC)cc2C(C)(C)CC1N.
What is the InChIKey of 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine?
The InChIKey is OSYDLVFHBOKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-6-7-14-13-9-8-12(19-4)10-15(13)17(2,3)11-16(14)18/h8-10,14,16H,5-7,11,18H2,1-4H3.
What are the key properties of 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine?
1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 57359538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).