1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

C19H29NO — CID 79233577

IUPAC1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(C1CCC(C)C(C)C1)CCC2
InChIInChI=1S/C19H29NO/c1-13-6-8-16(11-14(13)2)19(20)10-4-5-15-7-9-17(21-3)12-18(15)19/h7,9,12-14,16H,4-6,8,10-11,20H2,1-3H3
InChIKeyOACZXUSIHFGDGT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.26
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79233577) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79233577
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(C1CCC(C)C(C)C1)CCC2
InChIInChI=1S/C19H29NO/c1-13-6-8-16(11-14(13)2)19(20)10-4-5-15-7-9-17(21-3)12-18(15)19/h7,9,12-14,16H,4-6,8,10-11,20H2,1-3H3
InChIKeyOACZXUSIHFGDGT-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233573
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532004
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-(aminomethyl)-N-(2-cyclopropylethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248601
1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79233197
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 79233577) is 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(C1CCC(C)C(C)C1)CCC2.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is OACZXUSIHFGDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-6-8-16(11-14(13)2)19(20)10-4-5-15-7-9-17(21-3)12-18(15)19/h7,9,12-14,16H,4-6,8,10-11,20H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79233577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).