N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane

C22H36N2O — CID 166529218

IUPACN,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
SMILESCC.CN(C)CCCOc1ccccc1.CN(C)Cc1ccccc1
InChIInChI=1S/C11H17NO.C9H13N.C2H6/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;1-10(2)8-9-6-4-3-5-7-9;1-2/h3-5,7-8H,6,9-10H2,1-2H3;3-7H,8H2,1-2H3;1-2H3
InChIKeyGJPOOWYUBHRWML-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.79
Rot. Bonds7

About N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane

N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane (PubChem CID 166529218) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
PubChem CID166529218
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC NameN,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
SMILESCC.CN(C)CCCOc1ccccc1.CN(C)Cc1ccccc1
InChIInChI=1S/C11H17NO.C9H13N.C2H6/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;1-10(2)8-9-6-4-3-5-7-9;1-2/h3-5,7-8H,6,9-10H2,1-2H3;3-7H,8H2,1-2H3;1-2H3
InChIKeyGJPOOWYUBHRWML-UHFFFAOYSA-N
XLogP4.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N,N-dimethyl-3-[3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]propan-1-amine
CID 90762189
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
1-benzyl-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylguanidine
CID 110954500

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane?
The IUPAC name of N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane (CID 166529218) is N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane?
The canonical SMILES for N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane is CC.CN(C)CCCOc1ccccc1.CN(C)Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane?
The InChIKey is GJPOOWYUBHRWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C9H13N.C2H6/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;1-10(2)8-9-6-4-3-5-7-9;1-2/h3-5,7-8H,6,9-10H2,1-2H3;3-7H,8H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane?
N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane has a molecular weight of 344.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane is sourced from PubChem (CID 166529218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).