N-(2-phenylethyl)oxan-4-amine;hydrochloride

C13H20ClNO — CID 71299312

IUPACN-(2-phenylethyl)oxan-4-amine;hydrochloride
SMILESCl.c1ccc(CCNC2CCOCC2)cc1
InChIInChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13;/h1-5,13-14H,6-11H2;1H
InChIKeyZHEYXWMENRGBHS-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.42
Rot. Bonds4

About N-(2-phenylethyl)oxan-4-amine;hydrochloride

N-(2-phenylethyl)oxan-4-amine;hydrochloride (PubChem CID 71299312) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-(2-phenylethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylethyl)oxan-4-amine;hydrochloride
PubChem CID71299312
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-(2-phenylethyl)oxan-4-amine;hydrochloride
SMILESCl.c1ccc(CCNC2CCOCC2)cc1
InChIInChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13;/h1-5,13-14H,6-11H2;1H
InChIKeyZHEYXWMENRGBHS-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-[2-(2-bromophenyl)ethyl]oxan-4-amine
CID 115653013
N-benzyloxepan-4-amine
CID 65076712
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222656
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)oxan-4-amine;hydrochloride?
The IUPAC name of N-(2-phenylethyl)oxan-4-amine;hydrochloride (CID 71299312) is N-(2-phenylethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for N-(2-phenylethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for N-(2-phenylethyl)oxan-4-amine;hydrochloride is Cl.c1ccc(CCNC2CCOCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)oxan-4-amine;hydrochloride?
The InChIKey is ZHEYXWMENRGBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13;/h1-5,13-14H,6-11H2;1H.
What are the key properties of N-(2-phenylethyl)oxan-4-amine;hydrochloride?
N-(2-phenylethyl)oxan-4-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 71299312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).