[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine

C15H17ClN2O — CID 62945709

IUPAC[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESNCc1ccc(OCCCc2ccncc2)cc1Cl
InChIInChI=1S/C15H17ClN2O/c16-15-10-14(4-3-13(15)11-17)19-9-1-2-12-5-7-18-8-6-12/h3-8,10H,1-2,9,11,17H2
InChIKeyNKZNZSZPLXJPCL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.21
Rot. Bonds6

About [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine

[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine (PubChem CID 62945709) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
PubChem CID62945709
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
SMILESNCc1ccc(OCCCc2ccncc2)cc1Cl
InChIInChI=1S/C15H17ClN2O/c16-15-10-14(4-3-13(15)11-17)19-9-1-2-12-5-7-18-8-6-12/h3-8,10H,1-2,9,11,17H2
InChIKeyNKZNZSZPLXJPCL-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
CID 102723882
3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
CID 102723769
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
CID 79467347
[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 102723774

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine (CID 62945709) is [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine is NCc1ccc(OCCCc2ccncc2)cc1Cl.
What is the InChIKey of [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
The InChIKey is NKZNZSZPLXJPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-15-10-14(4-3-13(15)11-17)19-9-1-2-12-5-7-18-8-6-12/h3-8,10H,1-2,9,11,17H2.
What are the key properties of [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine?
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine is sourced from PubChem (CID 62945709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).