[4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride

C13H20ClNO — CID 54592681

IUPAC[4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride
SMILESCc1ccc(C2(CN)CCOCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13;/h2-5H,6-10,14H2,1H3;1H
InChIKeyQLSJFFBTDPFBKK-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.42
Rot. Bonds2

About [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride

[4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride (PubChem CID 54592681) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride
PubChem CID54592681
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride
SMILESCc1ccc(C2(CN)CCOCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13;/h2-5H,6-10,14H2,1H3;1H
InChIKeyQLSJFFBTDPFBKK-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(4-Fluorophenyl)oxan-4-yl)methanamine
CID 6484227
(4-(3-Fluorophenyl)oxan-4-yl)methanamine
CID 17609124
2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 16192589
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
1-(4-Phenyloxan-4-yl)methanamine
CID 6483779
2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethylamine
CID 2965330
2-[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamine
CID 2835263
{4-[3-(Trifluoromethyl)phenyl]oxan-4-yl}methanamine
CID 43119072
(4-Methoxy-1-phenylcyclohexyl)methanamine
CID 69089363
[4-(3-Bromophenyl)oxan-4-yl]methanamine hydrochloride
CID 45791695
4-Amino-2,2-dimethyl-3-phenylbutan-1-ol
CID 71756865
[4-(3-Chlorophenyl)oxan-4-yl]methanamine
CID 24273961

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride?
The IUPAC name of [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride (CID 54592681) is [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride is Cc1ccc(C2(CN)CCOCC2)cc1.Cl.
What is the InChIKey of [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride?
The InChIKey is QLSJFFBTDPFBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13;/h2-5H,6-10,14H2,1H3;1H.
What are the key properties of [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride?
[4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)oxan-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 54592681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).