1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol

C16H22N2O — CID 115121687

IUPAC1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccc2cc(CCNCC(O)CN)ccc2c1
InChIInChI=1S/C16H22N2O/c1-12-2-4-15-9-13(3-5-14(15)8-12)6-7-18-11-16(19)10-17/h2-5,8-9,16,18-19H,6-7,10-11,17H2,1H3
InChIKeyUPOAIXFSRXQNQM-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.60
Rot. Bonds6

About 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol

1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol (PubChem CID 115121687) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
PubChem CID115121687
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccc2cc(CCNCC(O)CN)ccc2c1
InChIInChI=1S/C16H22N2O/c1-12-2-4-15-9-13(3-5-14(15)8-12)6-7-18-11-16(19)10-17/h2-5,8-9,16,18-19H,6-7,10-11,17H2,1H3
InChIKeyUPOAIXFSRXQNQM-UHFFFAOYSA-N
XLogP1.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.60
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

N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 115195493
2-[2-(6-methylnaphthalen-2-yl)ethylamino]acetamide
CID 115260174
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
CID 115119779
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 115121335
1-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]propan-2-ol
CID 115121662
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
3-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115200672

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol (CID 115121687) is 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol is Cc1ccc2cc(CCNCC(O)CN)ccc2c1.
What is the InChIKey of 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol?
The InChIKey is UPOAIXFSRXQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-2-4-15-9-13(3-5-14(15)8-12)6-7-18-11-16(19)10-17/h2-5,8-9,16,18-19H,6-7,10-11,17H2,1H3.
What are the key properties of 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol?
1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).