N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine

C18H30N2O — CID 107876440

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCCN1CCOC(CNCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H30N2O/c1-4-20-10-11-21-17(14-20)12-19-13-18(15(2)3)16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyNHYHNYILOSYSST-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.74
Rot. Bonds7

About N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876440) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID107876440
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCCN1CCOC(CNCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H30N2O/c1-4-20-10-11-21-17(14-20)12-19-13-18(15(2)3)16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyNHYHNYILOSYSST-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-1-phenylethanamine
CID 103913578
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
3-ethyl-1-[(4-ethylmorpholin-2-yl)methylamino]pentan-2-ol
CID 106285209
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 114399661
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
1-[(4-ethylmorpholin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 78960612

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine (CID 107876440) is N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine is CCN1CCOC(CNCC(c2ccccc2)C(C)C)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is NHYHNYILOSYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20-10-11-21-17(14-20)12-19-13-18(15(2)3)16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).