2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride

C19H24ClN3O — CID 17210382

IUPAC2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride
SMILESC1=C(CCNCc2cccc(Oc3ncccn3)c2)CCCC1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-2-6-16(7-3-1)10-13-20-15-17-8-4-9-18(14-17)23-19-21-11-5-12-22-19;/h4-6,8-9,11-12,14,20H,1-3,7,10,13,15H2;1H
InChIKeyDSIZXDDNRVWHBQ-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.67
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride

2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17210382) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17210382
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride
SMILESC1=C(CCNCc2cccc(Oc3ncccn3)c2)CCCC1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-2-6-16(7-3-1)10-13-20-15-17-8-4-9-18(14-17)23-19-21-11-5-12-22-19;/h4-6,8-9,11-12,14,20H,1-3,7,10,13,15H2;1H
InChIKeyDSIZXDDNRVWHBQ-UHFFFAOYSA-N
XLogP4.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17210383
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclohexen-1-yl)-N-[(3-prop-2-ynoxyphenyl)methyl]ethanamine
CID 94074436
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclopenten-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845245
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride (CID 17210382) is 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride is C1=C(CCNCc2cccc(Oc3ncccn3)c2)CCCC1.Cl.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is DSIZXDDNRVWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-2-6-16(7-3-1)10-13-20-15-17-8-4-9-18(14-17)23-19-21-11-5-12-22-19;/h4-6,8-9,11-12,14,20H,1-3,7,10,13,15H2;1H.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17210382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).