1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine

C21H24N2O — CID 155666618

IUPAC1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine
SMILESCN(C)C(N)(CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-23(2)21(22,18-11-4-3-5-12-18)15-16-24-20-14-8-10-17-9-6-7-13-19(17)20/h3-14H,15-16,22H2,1-2H3
InChIKeyJXXJVTJKCHNDBX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.98
Rot. Bonds6

About 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine

1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine (PubChem CID 155666618) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine
PubChem CID155666618
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine
SMILESCN(C)C(N)(CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-23(2)21(22,18-11-4-3-5-12-18)15-16-24-20-14-8-10-17-9-6-7-13-19(17)20/h3-14H,15-16,22H2,1-2H3
InChIKeyJXXJVTJKCHNDBX-UHFFFAOYSA-N
XLogP3.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butoxynaphthalene
CID 13262700
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
1-(3-chloropropoxy)naphthalene
CID 12685615
1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene
CID 139725351
2-naphthalen-1-yloxyethyl acetate
CID 23049663
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid
CID 174252280
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
1-(4-methylpentoxy)naphthalene
CID 83168126

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine (CID 155666618) is 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine is CN(C)C(N)(CCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine?
The InChIKey is JXXJVTJKCHNDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23(2)21(22,18-11-4-3-5-12-18)15-16-24-20-14-8-10-17-9-6-7-13-19(17)20/h3-14H,15-16,22H2,1-2H3.
What are the key properties of 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine?
1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine has a molecular weight of 320.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine is sourced from PubChem (CID 155666618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).