N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine

C20H27NO — CID 12660399

IUPACN,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine
SMILESCC(c1ccccc1)c1ccccc1OCCCCN(C)C
InChIInChI=1S/C20H27NO/c1-17(18-11-5-4-6-12-18)19-13-7-8-14-20(19)22-16-10-9-15-21(2)3/h4-8,11-14,17H,9-10,15-16H2,1-3H3
InChIKeyOPJHDVXTVLCZKO-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.56
Rot. Bonds8

About N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine

N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine (PubChem CID 12660399) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine
PubChem CID12660399
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine
SMILESCC(c1ccccc1)c1ccccc1OCCCCN(C)C
InChIInChI=1S/C20H27NO/c1-17(18-11-5-4-6-12-18)19-13-7-8-14-20(19)22-16-10-9-15-21(2)3/h4-8,11-14,17H,9-10,15-16H2,1-3H3
InChIKeyOPJHDVXTVLCZKO-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.56
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-(4-bromobutoxy)-2-(1-phenylethyl)benzene
CID 12660371
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
1-octoxy-2-propan-2-ylbenzene
CID 64765685

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine?
The IUPAC name of N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine (CID 12660399) is N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine is CC(c1ccccc1)c1ccccc1OCCCCN(C)C.
What is the InChIKey of N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine?
The InChIKey is OPJHDVXTVLCZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-17(18-11-5-4-6-12-18)19-13-7-8-14-20(19)22-16-10-9-15-21(2)3/h4-8,11-14,17H,9-10,15-16H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine?
N,N-dimethyl-4-[2-(1-phenylethyl)phenoxy]butan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.56, 8 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-(1-phenylethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 12660399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).