N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine

C17H28N2O — CID 83100725

IUPACN-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-18-11-17-13-20-10-9-19(17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyDJIOHCRWUNVUOT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds6

About N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine

N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine (PubChem CID 83100725) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
PubChem CID83100725
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-18-11-17-13-20-10-9-19(17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyDJIOHCRWUNVUOT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099746
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-[2-(4-methoxyphenyl)ethyl]morpholin-3-yl]methyl]ethanamine
CID 83100882
N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine
CID 83100484
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]ethanamine
CID 83100570
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine (CID 83100725) is N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is DJIOHCRWUNVUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-11-17-13-20-10-9-19(17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83100725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).