N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

C13H20ClNO — CID 16807190

IUPACN-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCc1ccc(CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;/h4-7,13-14H,2-3,8-10H2,1H3;1H
InChIKeySMVULGMTUVYZBQ-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.69
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (PubChem CID 16807190) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
PubChem CID16807190
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCc1ccc(CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;/h4-7,13-14H,2-3,8-10H2,1H3;1H
InChIKeySMVULGMTUVYZBQ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide
CID 51991134
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (CID 16807190) is N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is Cc1ccc(CNCC2CCCO2)cc1.Cl.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The InChIKey is SMVULGMTUVYZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;/h4-7,13-14H,2-3,8-10H2,1H3;1H.
What are the key properties of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 16807190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).