N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine

C16H26N2O — CID 116956461

IUPACN-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine
SMILESCNC(c1cc(C(C)C)ccc1C)C1CNCCO1
InChIInChI=1S/C16H26N2O/c1-11(2)13-6-5-12(3)14(9-13)16(17-4)15-10-18-7-8-19-15/h5-6,9,11,15-18H,7-8,10H2,1-4H3
InChIKeyNAUBHHUNLRIKIT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine

N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine (PubChem CID 116956461) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine
PubChem CID116956461
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine
SMILESCNC(c1cc(C(C)C)ccc1C)C1CNCCO1
InChIInChI=1S/C16H26N2O/c1-11(2)13-6-5-12(3)14(9-13)16(17-4)15-10-18-7-8-19-15/h5-6,9,11,15-18H,7-8,10H2,1-4H3
InChIKeyNAUBHHUNLRIKIT-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylphenyl)-1-morpholin-2-ylmethanamine
CID 116956481
1-(4-methoxy-3,5-dimethylphenyl)-N-methyl-1-morpholin-2-ylmethanamine
CID 116956491
(2,5-dimethylphenyl)-morpholin-2-ylmethanamine
CID 116940966
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-morpholin-2-ylmethanamine
CID 116956467
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
morpholin-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 116941022
1-(3,4-dimethylphenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956830
azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935353
(4-methoxy-3-methylphenyl)-morpholin-2-ylmethanamine
CID 116940973

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine (CID 116956461) is N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine is CNC(c1cc(C(C)C)ccc1C)C1CNCCO1.
What is the InChIKey of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine?
The InChIKey is NAUBHHUNLRIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)13-6-5-12(3)14(9-13)16(17-4)15-10-18-7-8-19-15/h5-6,9,11,15-18H,7-8,10H2,1-4H3.
What are the key properties of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine?
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 116956461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).