1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine

C16H26N2O — CID 116941475

IUPAC1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
SMILESCC(C)Cc1ccc(C(N)CC2COCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)9-13-3-5-14(6-4-13)16(17)10-15-11-19-8-7-18-15/h3-6,12,15-16,18H,7-11,17H2,1-2H3
InChIKeyIRSOSWZSWRSFJY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds5

About 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine

1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine (PubChem CID 116941475) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
PubChem CID116941475
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
SMILESCC(C)Cc1ccc(C(N)CC2COCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)9-13-3-5-14(6-4-13)16(17)10-15-11-19-8-7-18-15/h3-6,12,15-16,18H,7-11,17H2,1-2H3
InChIKeyIRSOSWZSWRSFJY-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
2-morpholin-3-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116941496
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanamine
CID 116941120
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
1-(3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941527
2-morpholin-3-yl-1-naphthalen-2-ylethanamine
CID 116941547
3-(2-methylpropyl)morpholine
CID 20811826
1-(4-ethoxy-3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941494
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941537
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
CID 116941514

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine (CID 116941475) is 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine is CC(C)Cc1ccc(C(N)CC2COCCN2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine?
The InChIKey is IRSOSWZSWRSFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-13-3-5-14(6-4-13)16(17)10-15-11-19-8-7-18-15/h3-6,12,15-16,18H,7-11,17H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine?
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 116941475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).