N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine

C16H26N2O2 — CID 83009256

IUPACN-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine
SMILESCC(C)CCOc1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-14(2)7-10-20-16-5-3-15(4-6-16)13-17-18-8-11-19-12-9-18/h3-6,14,17H,7-13H2,1-2H3
InChIKeyXBDLWYIIZWCTBQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds7

About N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine

N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine (PubChem CID 83009256) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine
PubChem CID83009256
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine
SMILESCC(C)CCOc1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-14(2)7-10-20-16-5-3-15(4-6-16)13-17-18-8-11-19-12-9-18/h3-6,14,17H,7-13H2,1-2H3
InChIKeyXBDLWYIIZWCTBQ-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
1-[4-(3-methylbutoxy)phenyl]-N-[(4-methylphenyl)methyl]ethanamine
CID 54804064
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-(3-phenoxypropyl)morpholin-4-amine
CID 83021073
4-(3-methylbutoxy)-N-(3-morpholin-4-ylpropyl)benzenecarbothioamide
CID 3038208
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine?
The IUPAC name of N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine (CID 83009256) is N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine.
What is the SMILES notation for N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine?
The canonical SMILES for N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine is CC(C)CCOc1ccc(CNN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine?
The InChIKey is XBDLWYIIZWCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(2)7-10-20-16-5-3-15(4-6-16)13-17-18-8-11-19-12-9-18/h3-6,14,17H,7-13H2,1-2H3.
What are the key properties of N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine?
N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine is sourced from PubChem (CID 83009256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).