N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine

C17H21NO — CID 21281267

IUPACN,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
SMILESCN(C)CCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-18(2)12-7-13-19-17-11-6-10-16(14-17)15-8-4-3-5-9-15/h3-6,8-11,14H,7,12-13H2,1-2H3
InChIKeyXCVDPZUMPCLXPW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.68
Rot. Bonds6

About N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine

N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine (PubChem CID 21281267) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
PubChem CID21281267
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
SMILESCN(C)CCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-18(2)12-7-13-19-17-11-6-10-16(14-17)15-8-4-3-5-9-15/h3-6,8-11,14H,7,12-13H2,1-2H3
InChIKeyXCVDPZUMPCLXPW-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 163310411
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
CID 166529218
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine (CID 21281267) is N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine is CN(C)CCCOc1cccc(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine?
The InChIKey is XCVDPZUMPCLXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)12-7-13-19-17-11-6-10-16(14-17)15-8-4-3-5-9-15/h3-6,8-11,14H,7,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine?
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine is sourced from PubChem (CID 21281267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).