N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine

C18H23NO — CID 2182223

IUPACN,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
SMILESCN(C)CCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C18H23NO/c1-19(2)14-8-9-15-20-18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-7,10-13H,8-9,14-15H2,1-2H3
InChIKeyKNTZMAYDEMUNCX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds7

About N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine

N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine (PubChem CID 2182223) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
PubChem CID2182223
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
SMILESCN(C)CCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C18H23NO/c1-19(2)14-8-9-15-20-18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-7,10-13H,8-9,14-15H2,1-2H3
InChIKeyKNTZMAYDEMUNCX-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
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-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
1-octadecoxy-2-phenylbenzene
CID 70983974
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 139784180
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
diethyl-[3-(2-phenylphenoxy)propyl]azanium
CID 2296595
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
3-(dimethylamino)propyl-[3-[4-(2-dodecoxyphenyl)phenoxy]propyl]-dimethylazanium
CID 123967100

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine (CID 2182223) is N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine is CN(C)CCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine?
The InChIKey is KNTZMAYDEMUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(2)14-8-9-15-20-18-13-7-6-12-17(18)16-10-4-3-5-11-16/h3-7,10-13H,8-9,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine?
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine is sourced from PubChem (CID 2182223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).