N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C17H27N3O — CID 62439588

IUPACN-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCN1CCN(CCOc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-19-8-10-20(11-9-19)12-13-21-17-6-2-15(3-7-17)14-18-16-4-5-16/h2-3,6-7,16,18H,4-5,8-14H2,1H3
InChIKeyQCYWSXOWWBYNCP-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.56
Rot. Bonds7

About N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62439588) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62439588
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCN1CCN(CCOc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-19-8-10-20(11-9-19)12-13-21-17-6-2-15(3-7-17)14-18-16-4-5-16/h2-3,6-7,16,18H,4-5,8-14H2,1H3
InChIKeyQCYWSXOWWBYNCP-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114412947
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 43288567
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 62439588) is N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is CN1CCN(CCOc2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is QCYWSXOWWBYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-8-10-20(11-9-19)12-13-21-17-6-2-15(3-7-17)14-18-16-4-5-16/h2-3,6-7,16,18H,4-5,8-14H2,1H3.
What are the key properties of N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62439588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).