1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol

C14H18N2O2 — CID 116942613

IUPAC1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
SMILESCOc1ccc2cc(C(N)C(O)CN)ccc2c1
InChIInChI=1S/C14H18N2O2/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)14(16)13(17)8-15/h2-7,13-14,17H,8,15-16H2,1H3
InChIKeyMUWZXPQKINMLCQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.17
Rot. Bonds4

About 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol

1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol (PubChem CID 116942613) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
PubChem CID116942613
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
SMILESCOc1ccc2cc(C(N)C(O)CN)ccc2c1
InChIInChI=1S/C14H18N2O2/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)14(16)13(17)8-15/h2-7,13-14,17H,8,15-16H2,1H3
InChIKeyMUWZXPQKINMLCQ-UHFFFAOYSA-N
XLogP1.17
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 171312841
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218899

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol?
The IUPAC name of 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol (CID 116942613) is 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol.
What is the SMILES notation for 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol?
The canonical SMILES for 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol is COc1ccc2cc(C(N)C(O)CN)ccc2c1.
What is the InChIKey of 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol?
The InChIKey is MUWZXPQKINMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)14(16)13(17)8-15/h2-7,13-14,17H,8,15-16H2,1H3.
What are the key properties of 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol?
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 116942613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).