N,N-dimethyl-4-(3-phenoxypropyl)aniline

C17H21NO — CID 91358469

IUPACN,N-dimethyl-4-(3-phenoxypropyl)aniline
SMILESCN(C)c1ccc(CCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-18(2)16-12-10-15(11-13-16)7-6-14-19-17-8-4-3-5-9-17/h3-5,8-13H,6-7,14H2,1-2H3
InChIKeyVXVOCFNIKYUNLQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.76
Rot. Bonds6

About N,N-dimethyl-4-(3-phenoxypropyl)aniline

N,N-dimethyl-4-(3-phenoxypropyl)aniline (PubChem CID 91358469) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenoxypropyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenoxypropyl)aniline
PubChem CID91358469
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN,N-dimethyl-4-(3-phenoxypropyl)aniline
SMILESCN(C)c1ccc(CCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-18(2)16-12-10-15(11-13-16)7-6-14-19-17-8-4-3-5-9-17/h3-5,8-13H,6-7,14H2,1-2H3
InChIKeyVXVOCFNIKYUNLQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline
CID 132549662
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
CID 67327609
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-(bromomethyl)-4-(5-phenoxypentyl)benzene
CID 14576783
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenoxypropyl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-phenoxypropyl)aniline (CID 91358469) is N,N-dimethyl-4-(3-phenoxypropyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-phenoxypropyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-phenoxypropyl)aniline is CN(C)c1ccc(CCCOc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-phenoxypropyl)aniline?
The InChIKey is VXVOCFNIKYUNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)16-12-10-15(11-13-16)7-6-14-19-17-8-4-3-5-9-17/h3-5,8-13H,6-7,14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-phenoxypropyl)aniline?
N,N-dimethyl-4-(3-phenoxypropyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenoxypropyl)aniline is sourced from PubChem (CID 91358469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).