N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine

C19H27N3O — CID 155552955

IUPACN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(C)cn2)cc1
InChIInChI=1S/C19H27N3O/c1-16-5-10-19(20-15-16)22(14-13-21(2)3)12-11-17-6-8-18(23-4)9-7-17/h5-10,15H,11-14H2,1-4H3
InChIKeyMTIDZBZGMCNOBA-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.01
Rot. Bonds8

About N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine

N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 155552955) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID155552955
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(C)cn2)cc1
InChIInChI=1S/C19H27N3O/c1-16-5-10-19(20-15-16)22(14-13-21(2)3)12-11-17-6-8-18(23-4)9-7-17/h5-10,15H,11-14H2,1-4H3
InChIKeyMTIDZBZGMCNOBA-UHFFFAOYSA-N
XLogP3.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine Maleate
CID 5284451
Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
Pyrilamine hydrochloride
CID 80139
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine (CID 155552955) is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine is COc1ccc(CCN(CCN(C)C)c2ccc(C)cn2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MTIDZBZGMCNOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16-5-10-19(20-15-16)22(14-13-21(2)3)12-11-17-6-8-18(23-4)9-7-17/h5-10,15H,11-14H2,1-4H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 313.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 155552955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).