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

C16H26N2O — CID 115237984

IUPACN-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine
SMILESCC(C)(C)c1ccc(CNCC2COCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-6-4-13(5-7-14)10-17-11-15-12-19-9-8-18-15/h4-7,15,17-18H,8-12H2,1-3H3
InChIKeyXDNOHDCUEIHJIL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.06
Rot. Bonds4

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

N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine (PubChem CID 115237984) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine
PubChem CID115237984
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine
SMILESCC(C)(C)c1ccc(CNCC2COCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-6-4-13(5-7-14)10-17-11-15-12-19-9-8-18-15/h4-7,15,17-18H,8-12H2,1-3H3
InChIKeyXDNOHDCUEIHJIL-UHFFFAOYSA-N
XLogP2.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003
2-(4-fluorophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238209
2-methyl-N-(morpholin-3-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115238222
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
2-(2-bromophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238227
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
2-methyl-2-(3-methylthiophen-2-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238232
2-methyl-N-(morpholin-3-ylmethyl)-2-pyridin-2-ylpropan-1-amine
CID 115238220

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine (CID 115237984) is N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine is CC(C)(C)c1ccc(CNCC2COCCN2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine?
The InChIKey is XDNOHDCUEIHJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-6-4-13(5-7-14)10-17-11-15-12-19-9-8-18-15/h4-7,15,17-18H,8-12H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine?
N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine is sourced from PubChem (CID 115237984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).