(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine

C16H19ClN2O2 — CID 105143419

IUPAC(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccncc2Cl)cc1OCC
InChIInChI=1S/C16H19ClN2O2/c1-3-20-14-6-5-11(9-15(14)21-4-2)16(18)12-7-8-19-10-13(12)17/h5-10,16H,3-4,18H2,1-2H3
InChIKeyFBSAAFYDAIHHCQ-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.58
Rot. Bonds6

About (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine

(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine (PubChem CID 105143419) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
PubChem CID105143419
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccncc2Cl)cc1OCC
InChIInChI=1S/C16H19ClN2O2/c1-3-20-14-6-5-11(9-15(14)21-4-2)16(18)12-7-8-19-10-13(12)17/h5-10,16H,3-4,18H2,1-2H3
InChIKeyFBSAAFYDAIHHCQ-UHFFFAOYSA-N
XLogP3.58
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835164
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine (CID 105143419) is (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine is CCOc1ccc(C(N)c2ccncc2Cl)cc1OCC.
What is the InChIKey of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine?
The InChIKey is FBSAAFYDAIHHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-20-14-6-5-11(9-15(14)21-4-2)16(18)12-7-8-19-10-13(12)17/h5-10,16H,3-4,18H2,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine?
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine has a molecular weight of 306.79 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine is sourced from PubChem (CID 105143419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).