3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine

C19H27N3O — CID 110447605

IUPAC3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C19H27N3O/c1-15(8-9-20)17-12-18(14-21-13-17)16-4-6-19(7-5-16)23-11-10-22(2)3/h4-7,12-15H,8-11,20H2,1-3H3
InChIKeyJGHDQSGAKAJQRX-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.14
Rot. Bonds8

About 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine

3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine (PubChem CID 110447605) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine
PubChem CID110447605
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine
SMILESCC(CCN)c1cncc(-c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C19H27N3O/c1-15(8-9-20)17-12-18(14-21-13-17)16-4-6-19(7-5-16)23-11-10-22(2)3/h4-7,12-15H,8-11,20H2,1-3H3
InChIKeyJGHDQSGAKAJQRX-UHFFFAOYSA-N
XLogP3.14
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542752
2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
CID 11640057
3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542814
3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542784
3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542720
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
CID 19079462
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
3-(4-pyridin-4-ylphenyl)butan-1-amine
CID 82542949
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine?
The IUPAC name of 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine (CID 110447605) is 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine?
The canonical SMILES for 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine is CC(CCN)c1cncc(-c2ccc(OCCN(C)C)cc2)c1.
What is the InChIKey of 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine?
The InChIKey is JGHDQSGAKAJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(8-9-20)17-12-18(14-21-13-17)16-4-6-19(7-5-16)23-11-10-22(2)3/h4-7,12-15H,8-11,20H2,1-3H3.
What are the key properties of 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine?
3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 110447605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).