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

C19H29NO — CID 79233573

IUPAC1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCC1CCC(C2(N)CCCc3ccc(OC)cc32)CC1
InChIInChI=1S/C19H29NO/c1-3-14-6-9-16(10-7-14)19(20)12-4-5-15-8-11-17(21-2)13-18(15)19/h8,11,13-14,16H,3-7,9-10,12,20H2,1-2H3
InChIKeyDOYDWXAFXNDTPC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.40
Rot. Bonds3

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

1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79233573) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79233573
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCC1CCC(C2(N)CCCc3ccc(OC)cc32)CC1
InChIInChI=1S/C19H29NO/c1-3-14-6-9-16(10-7-14)19(20)12-4-5-15-8-11-17(21-2)13-18(15)19/h8,11,13-14,16H,3-7,9-10,12,20H2,1-2H3
InChIKeyDOYDWXAFXNDTPC-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233577
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374140
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-(aminomethyl)-N-(2-cyclopropylethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248601
(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
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79233197
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 79233573) is 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is CCC1CCC(C2(N)CCCc3ccc(OC)cc32)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is DOYDWXAFXNDTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-14-6-9-16(10-7-14)19(20)12-4-5-15-8-11-17(21-2)13-18(15)19/h8,11,13-14,16H,3-7,9-10,12,20H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79233573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).