N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine

C22H31NO — CID 21281384

IUPACN,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
SMILESCN(C)CCCCCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H31NO/c1-23(2)18-10-5-3-4-6-11-19-24-22-16-14-21(15-17-22)20-12-8-7-9-13-20/h7-9,12-17H,3-6,10-11,18-19H2,1-2H3
InChIKeyXFOUFMQAZFXRPQ-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.63
Rot. Bonds11

About N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine

N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine (PubChem CID 21281384) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
PubChem CID21281384
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
SMILESCN(C)CCCCCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H31NO/c1-23(2)18-10-5-3-4-6-11-19-24-22-16-14-21(15-17-22)20-12-8-7-9-13-20/h7-9,12-17H,3-6,10-11,18-19H2,1-2H3
InChIKeyXFOUFMQAZFXRPQ-UHFFFAOYSA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.63
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

1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
1-pentoxy-4-phenylbenzene
CID 7021155
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
N,N-dimethyl-4-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-amine;oxalic acid
CID 2934373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine?
The IUPAC name of N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine (CID 21281384) is N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine.
What is the SMILES notation for N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine?
The canonical SMILES for N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine is CN(C)CCCCCCCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine?
The InChIKey is XFOUFMQAZFXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-23(2)18-10-5-3-4-6-11-19-24-22-16-14-21(15-17-22)20-12-8-7-9-13-20/h7-9,12-17H,3-6,10-11,18-19H2,1-2H3.
What are the key properties of N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine?
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine is sourced from PubChem (CID 21281384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).