[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol

C16H25NO — CID 113306069

IUPAC[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCC(C)CNC1(CO)CCC(C)c2ccccc21
InChIInChI=1S/C16H25NO/c1-12(2)10-17-16(11-18)9-8-13(3)14-6-4-5-7-15(14)16/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyPHFWVMNVLFDJNU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds4

About [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol

[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 113306069) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID113306069
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCC(C)CNC1(CO)CCC(C)c2ccccc21
InChIInChI=1S/C16H25NO/c1-12(2)10-17-16(11-18)9-8-13(3)14-6-4-5-7-15(14)16/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyPHFWVMNVLFDJNU-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418719
3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
CID 113305944
1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419705
1-(aminomethyl)-N-but-3-ynyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 116641058
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418694
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 113306069) is [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol is CC(C)CNC1(CO)CCC(C)c2ccccc21.
What is the InChIKey of [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is PHFWVMNVLFDJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)10-17-16(11-18)9-8-13(3)14-6-4-5-7-15(14)16/h4-7,12-13,17-18H,8-11H2,1-3H3.
What are the key properties of [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 113306069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).