N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine

C19H25NO — CID 170866457

IUPACN,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCc1ccc(COc2cccc(CCCN(C)C)c2)cc1
InChIInChI=1S/C19H25NO/c1-16-9-11-18(12-10-16)15-21-19-8-4-6-17(14-19)7-5-13-20(2)3/h4,6,8-12,14H,5,7,13,15H2,1-3H3
InChIKeyBRGLLLWBYVTZLC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.07
Rot. Bonds7

About N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine

N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 170866457) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
PubChem CID170866457
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCc1ccc(COc2cccc(CCCN(C)C)c2)cc1
InChIInChI=1S/C19H25NO/c1-16-9-11-18(12-10-16)15-21-19-8-4-6-17(14-19)7-5-13-20(2)3/h4,6,8-12,14H,5,7,13,15H2,1-3H3
InChIKeyBRGLLLWBYVTZLC-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
N,N-dimethyl-3-[3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]propan-1-amine
CID 90762189
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
1-phenylmethoxy-3-propylbenzene
CID 58977798

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine (CID 170866457) is N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine is Cc1ccc(COc2cccc(CCCN(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is BRGLLLWBYVTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16-9-11-18(12-10-16)15-21-19-8-4-6-17(14-19)7-5-13-20(2)3/h4,6,8-12,14H,5,7,13,15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 283.42 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-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170866457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).