3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol

C15H24N2O — CID 113305944

IUPAC3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
SMILESCC1CCC(CN)(NCCCO)c2ccccc21
InChIInChI=1S/C15H24N2O/c1-12-7-8-15(11-16,17-9-4-10-18)14-6-3-2-5-13(12)14/h2-3,5-6,12,17-18H,4,7-11,16H2,1H3
InChIKeyOFTQCUPNFFSMOQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.71
Rot. Bonds5

About 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol

3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol (PubChem CID 113305944) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
PubChem CID113305944
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
SMILESCC1CCC(CN)(NCCCO)c2ccccc21
InChIInChI=1S/C15H24N2O/c1-12-7-8-15(11-16,17-9-4-10-18)14-6-3-2-5-13(12)14/h2-3,5-6,12,17-18H,4,7-11,16H2,1H3
InChIKeyOFTQCUPNFFSMOQ-UHFFFAOYSA-N
XLogP1.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-but-3-ynyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 116641058
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418719
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 113306069
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418694
1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115419342
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115420935
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
(4-methyl-1-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 115418582
1-(aminomethyl)-N-cyclohexyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418589

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol (CID 113305944) is 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol is CC1CCC(CN)(NCCCO)c2ccccc21.
What is the InChIKey of 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol?
The InChIKey is OFTQCUPNFFSMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-8-15(11-16,17-9-4-10-18)14-6-3-2-5-13(12)14/h2-3,5-6,12,17-18H,4,7-11,16H2,1H3.
What are the key properties of 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol?
3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol is sourced from PubChem (CID 113305944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).