N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

C18H30N2O — CID 3152140

IUPACN-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(C)(C)c1ccc(CNCCCN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)17-7-5-16(6-8-17)15-19-9-4-10-20-11-13-21-14-12-20/h5-8,19H,4,9-15H2,1-3H3
InChIKeyQHOWYYMIZRKELF-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.80
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 3152140) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID3152140
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(C)(C)c1ccc(CNCCCN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)17-7-5-16(6-8-17)15-19-9-4-10-20-11-13-21-14-12-20/h5-8,19H,4,9-15H2,1-3H3
InChIKeyQHOWYYMIZRKELF-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 3152140) is N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is CC(C)(C)c1ccc(CNCCCN2CCOCC2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is QHOWYYMIZRKELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)17-7-5-16(6-8-17)15-19-9-4-10-20-11-13-21-14-12-20/h5-8,19H,4,9-15H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3152140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).