(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride

C17H24ClNO — CID 11609028

IUPAC(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
SMILESCCC[C@H](CCNC)Oc1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H23NO.ClH/c1-3-6-16(11-12-18-2)19-17-10-9-14-7-4-5-8-15(14)13-17;/h4-5,7-10,13,16,18H,3,6,11-12H2,1-2H3;1H/t16-;/m1./s1
InChIKeyBDYNVWLBHAGEOF-PKLMIRHRSA-N
MW293.84 g/mol
LogP4.42
Rot. Bonds7

About (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride

(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride (PubChem CID 11609028) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
PubChem CID11609028
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
SMILESCCC[C@H](CCNC)Oc1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H23NO.ClH/c1-3-6-16(11-12-18-2)19-17-10-9-14-7-4-5-8-15(14)13-17;/h4-5,7-10,13,16,18H,3,6,11-12H2,1-2H3;1H/t16-;/m1./s1
InChIKeyBDYNVWLBHAGEOF-PKLMIRHRSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride?
The IUPAC name of (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride (CID 11609028) is (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride.
What is the SMILES notation for (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride?
The canonical SMILES for (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride is CCC[C@H](CCNC)Oc1ccc2ccccc2c1.Cl.
What is the InChIKey of (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride?
The InChIKey is BDYNVWLBHAGEOF-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H23NO.ClH/c1-3-6-16(11-12-18-2)19-17-10-9-14-7-4-5-8-15(14)13-17;/h4-5,7-10,13,16,18H,3,6,11-12H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride?
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride is sourced from PubChem (CID 11609028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).