N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine

C17H21NO — CID 2184471

IUPACN,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
SMILESCN(C)CCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C17H21NO/c1-18(2)13-8-14-19-17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKeyRTXWMOWAQZKQNT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.68
Rot. Bonds6

About N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine

N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine (PubChem CID 2184471) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
PubChem CID2184471
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
SMILESCN(C)CCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C17H21NO/c1-18(2)13-8-14-19-17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKeyRTXWMOWAQZKQNT-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-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 139784180
1-octadecoxy-2-phenylbenzene
CID 70983974
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
diethyl-[3-(2-phenylphenoxy)propyl]azanium
CID 2296595
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
4-(2-phenylphenoxy)butanenitrile
CID 14751947
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine (CID 2184471) is N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine is CN(C)CCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine?
The InChIKey is RTXWMOWAQZKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)13-8-14-19-17-12-7-6-11-16(17)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine?
N,N-dimethyl-3-(2-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-(2-phenylphenoxy)propan-1-amine is sourced from PubChem (CID 2184471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).