1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

C15H23NO — CID 115419705

IUPAC1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCNC(C)C1(O)CCC(C)c2ccccc21
InChIInChI=1S/C15H23NO/c1-4-16-12(3)15(17)10-9-11(2)13-7-5-6-8-14(13)15/h5-8,11-12,16-17H,4,9-10H2,1-3H3
InChIKeyTXDNKCVZVIGPEO-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.77
Rot. Bonds3

About 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115419705) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115419705
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCNC(C)C1(O)CCC(C)c2ccccc21
InChIInChI=1S/C15H23NO/c1-4-16-12(3)15(17)10-9-11(2)13-7-5-6-8-14(13)15/h5-8,11-12,16-17H,4,9-10H2,1-3H3
InChIKeyTXDNKCVZVIGPEO-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 113306069
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
5-amino-1-[1-(ethylamino)ethyl]-2,3-dihydroinden-1-ol
CID 80562561
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine
CID 115420243
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418719

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115419705) is 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CCNC(C)C1(O)CCC(C)c2ccccc21.
What is the InChIKey of 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is TXDNKCVZVIGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-12(3)15(17)10-9-11(2)13-7-5-6-8-14(13)15/h5-8,11-12,16-17H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115419705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).