4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine

C14H17N3O — CID 70319310

IUPAC4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCCOCc1ccccc1
InChIInChI=1S/C14H17N3O/c15-13-10-16-7-6-14(13)17-8-9-18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,15H2,(H,16,17)
InChIKeySHKALUQSPNTTKC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds6

About 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine

4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine (PubChem CID 70319310) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
PubChem CID70319310
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCCOCc1ccccc1
InChIInChI=1S/C14H17N3O/c15-13-10-16-7-6-14(13)17-8-9-18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,15H2,(H,16,17)
InChIKeySHKALUQSPNTTKC-UHFFFAOYSA-N
XLogP2.29
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-phenylmethoxybutan-2-yl)pyridine-3,4-diamine
CID 166432739
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
CID 28902053
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1,7-naphthyridin-4-amine
CID 166183159
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
4-[(3-amino-4-pyridinyl)amino]butan-2-ol
CID 64928058
[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
CID 132587694
4-N-hex-5-ynylpyridine-3,4-diamine
CID 106215733
4-[2-[(3-amino-4-pyridinyl)amino]ethyl]benzene-1,2-diol;dihydrobromide
CID 3031525
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine (CID 70319310) is 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine is Nc1cnccc1NCCOCc1ccccc1.
What is the InChIKey of 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine?
The InChIKey is SHKALUQSPNTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13-10-16-7-6-14(13)17-8-9-18-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,15H2,(H,16,17).
What are the key properties of 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine?
4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine is sourced from PubChem (CID 70319310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).