[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine

C15H24N2O — CID 61338959

IUPAC[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)c1ccc(CN2CCOC(CN)C2)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)14-5-3-13(4-6-14)10-17-7-8-18-15(9-16)11-17/h3-6,12,15H,7-11,16H2,1-2H3
InChIKeyQCGJUCPTYRUFSG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.97
Rot. Bonds4

About [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine

[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 61338959) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
PubChem CID61338959
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)c1ccc(CN2CCOC(CN)C2)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)14-5-3-13(4-6-14)10-17-7-8-18-15(9-16)11-17/h3-6,12,15H,7-11,16H2,1-2H3
InChIKeyQCGJUCPTYRUFSG-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844448
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
CID 114397914
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387

Frequently Asked Questions

What is the IUPAC name of [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine (CID 61338959) is [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine is CC(C)c1ccc(CN2CCOC(CN)C2)cc1.
What is the InChIKey of [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is QCGJUCPTYRUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)14-5-3-13(4-6-14)10-17-7-8-18-15(9-16)11-17/h3-6,12,15H,7-11,16H2,1-2H3.
What are the key properties of [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine?
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 61338959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).