N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine

C17H28N2O — CID 64681381

IUPACN-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCCc1ccccc1CNCC1CN(C(C)C)CCO1
InChIInChI=1S/C17H28N2O/c1-4-15-7-5-6-8-16(15)11-18-12-17-13-19(14(2)3)9-10-20-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyATMNDXGWDPRPKK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds6

About N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine

N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 64681381) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID64681381
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCCc1ccccc1CNCC1CN(C(C)C)CCO1
InChIInChI=1S/C17H28N2O/c1-4-15-7-5-6-8-16(15)11-18-12-17-13-19(14(2)3)9-10-20-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyATMNDXGWDPRPKK-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64533307
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 65244123
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine
CID 66394658
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 64681381) is N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is CCc1ccccc1CNCC1CN(C(C)C)CCO1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is ATMNDXGWDPRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-7-5-6-8-16(15)11-18-12-17-13-19(14(2)3)9-10-20-17/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 64681381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).