2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride

C24H30ClNO2 — CID 20517335

IUPAC2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride
SMILESCC(C)(C)NCC(COc1ccc2ccccc2c1)OCc1ccccc1.Cl
InChIInChI=1S/C24H29NO2.ClH/c1-24(2,3)25-16-23(26-17-19-9-5-4-6-10-19)18-27-22-14-13-20-11-7-8-12-21(20)15-22;/h4-15,23,25H,16-18H2,1-3H3;1H
InChIKeyWUSKUVQXUOESPB-UHFFFAOYSA-N
MW399.96 g/mol
LogP5.61
Rot. Bonds8

About 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride

2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride (PubChem CID 20517335) has the molecular formula C24H30ClNO2 and a molecular weight of 399.96 g/mol. Its IUPAC name is 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride
PubChem CID20517335
Molecular FormulaC24H30ClNO2
Molecular Weight399.96 g/mol
Exact Mass399.20
IUPAC Name2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride
SMILESCC(C)(C)NCC(COc1ccc2ccccc2c1)OCc1ccccc1.Cl
InChIInChI=1S/C24H29NO2.ClH/c1-24(2,3)25-16-23(26-17-19-9-5-4-6-10-19)18-27-22-14-13-20-11-7-8-12-21(20)15-22;/h4-15,23,25H,16-18H2,1-3H3;1H
InChIKeyWUSKUVQXUOESPB-UHFFFAOYSA-N
XLogP5.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.96
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine
CID 83047496
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride (CID 20517335) is 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride is CC(C)(C)NCC(COc1ccc2ccccc2c1)OCc1ccccc1.Cl.
What is the InChIKey of 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride?
The InChIKey is WUSKUVQXUOESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2.ClH/c1-24(2,3)25-16-23(26-17-19-9-5-4-6-10-19)18-27-22-14-13-20-11-7-8-12-21(20)15-22;/h4-15,23,25H,16-18H2,1-3H3;1H.
What are the key properties of 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride?
2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 20517335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).