N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine

C17H26N2O2 — CID 84750548

IUPACN-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCC(C)Oc1cc(CNC2CC2)ccc1N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-17-11-14(12-18-15-4-5-15)3-6-16(17)19-7-9-20-10-8-19/h3,6,11,13,15,18H,4-5,7-10,12H2,1-2H3
InChIKeyIRPJAGVYOQKBRA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds6

About N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine

N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 84750548) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
PubChem CID84750548
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCC(C)Oc1cc(CNC2CC2)ccc1N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-17-11-14(12-18-15-4-5-15)3-6-16(17)19-7-9-20-10-8-19/h3,6,11,13,15,18H,4-5,7-10,12H2,1-2H3
InChIKeyIRPJAGVYOQKBRA-UHFFFAOYSA-N
XLogP2.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
N-[(3-ethoxy-4-morpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 84749500
N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750601
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
CID 84750679
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
N-[(4-piperazin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750629

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine (CID 84750548) is N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine is CC(C)Oc1cc(CNC2CC2)ccc1N1CCOCC1.
What is the InChIKey of N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is IRPJAGVYOQKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-17-11-14(12-18-15-4-5-15)3-6-16(17)19-7-9-20-10-8-19/h3,6,11,13,15,18H,4-5,7-10,12H2,1-2H3.
What are the key properties of N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine?
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 84750548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).