(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride

C14H19ClN2O — CID 171232538

IUPAC(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@@H](N)CCN.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-17-13-7-6-10-4-2-3-5-11(10)14(13)12(16)8-9-15;/h2-7,12H,8-9,15-16H2,1H3;1H/t12-;/m0./s1
InChIKeyIODCSLREDMHFII-YDALLXLXSA-N
MW266.77 g/mol
LogP2.62
Rot. Bonds4

About (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride

(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride (PubChem CID 171232538) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
PubChem CID171232538
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@@H](N)CCN.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-17-13-7-6-10-4-2-3-5-11(10)14(13)12(16)8-9-15;/h2-7,12H,8-9,15-16H2,1H3;1H/t12-;/m0./s1
InChIKeyIODCSLREDMHFII-YDALLXLXSA-N
XLogP2.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
(1S)-1-(2-methoxynaphthalen-1-yl)-3-methylbut-3-en-1-amine
CID 171232576
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride (CID 171232538) is (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride is COc1ccc2ccccc2c1[C@@H](N)CCN.Cl.
What is the InChIKey of (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is IODCSLREDMHFII-YDALLXLXSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-17-13-7-6-10-4-2-3-5-11(10)14(13)12(16)8-9-15;/h2-7,12H,8-9,15-16H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171232538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).