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

C15H24ClNO — CID 6462943

IUPAC1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
SMILESCC(C)c1ccc(CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15;/h5-8,12,15-16H,3-4,9-11H2,1-2H3;1H
InChIKeyTXXPNLLLEZDENM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.50
Rot. Bonds5

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

1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride (PubChem CID 6462943) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
PubChem CID6462943
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
SMILESCC(C)c1ccc(CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15;/h5-8,12,15-16H,3-4,9-11H2,1-2H3;1H
InChIKeyTXXPNLLLEZDENM-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
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
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride (CID 6462943) is 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride is CC(C)c1ccc(CNCC2CCCO2)cc1.Cl.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride?
The InChIKey is TXXPNLLLEZDENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15;/h5-8,12,15-16H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride?
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 6462943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).