N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride

C18H27ClN2O2 — CID 139898287

IUPACN-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride
SMILESCCCCCCNCc1ccc(OCCc2ncco2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-3-4-5-11-19-15-16-6-8-17(9-7-16)21-13-10-18-20-12-14-22-18;/h6-9,12,14,19H,2-5,10-11,13,15H2,1H3;1H
InChIKeyZWSNVGBAVCPOJO-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.39
Rot. Bonds11

About N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride

N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride (PubChem CID 139898287) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride
PubChem CID139898287
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride
SMILESCCCCCCNCc1ccc(OCCc2ncco2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-3-4-5-11-19-15-16-6-8-17(9-7-16)21-13-10-18-20-12-14-22-18;/h6-9,12,14,19H,2-5,10-11,13,15H2,1H3;1H
InChIKeyZWSNVGBAVCPOJO-UHFFFAOYSA-N
XLogP4.39
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N-[(4-butoxyphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491421
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-butoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639330

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride?
The IUPAC name of N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride (CID 139898287) is N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride is CCCCCCNCc1ccc(OCCc2ncco2)cc1.Cl.
What is the InChIKey of N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride?
The InChIKey is ZWSNVGBAVCPOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-2-3-4-5-11-19-15-16-6-8-17(9-7-16)21-13-10-18-20-12-14-22-18;/h6-9,12,14,19H,2-5,10-11,13,15H2,1H3;1H.
What are the key properties of N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride?
N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]hexan-1-amine;hydrochloride is sourced from PubChem (CID 139898287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).