N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine

C16H20N2O — CID 170865971

IUPACN,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine
SMILESCN(C)CCCc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-18(2)12-4-5-14-7-9-15(10-8-14)19-16-6-3-11-17-13-16/h3,6-11,13H,4-5,12H2,1-2H3
InChIKeyUQUIEIPMUPDKIH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.37
Rot. Bonds6

About N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine

N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine (PubChem CID 170865971) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine
PubChem CID170865971
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine
SMILESCN(C)CCCc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-18(2)12-4-5-14-7-9-15(10-8-14)19-16-6-3-11-17-13-16/h3,6-11,13H,4-5,12H2,1-2H3
InChIKeyUQUIEIPMUPDKIH-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
CID 166209637
2-(4-pyridin-3-yloxyphenyl)ethanamine
CID 63815033
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
N,N-dimethyl-3-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 170865655
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
CID 170866043
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
(4-pyridin-3-yloxyphenyl)methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 166194144
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine (CID 170865971) is N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine is CN(C)CCCc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine?
The InChIKey is UQUIEIPMUPDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)12-4-5-14-7-9-15(10-8-14)19-16-6-3-11-17-13-16/h3,6-11,13H,4-5,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine?
N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 170865971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).