N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C17H24N2O — CID 114412947

IUPACN-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESC1=CCN(CCOc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H24N2O/c1-2-10-19(11-3-1)12-13-20-17-8-4-15(5-9-17)14-18-16-6-7-16/h1-2,4-5,8-9,16,18H,3,6-7,10-14H2
InChIKeyFCDHPBNIGGOMRG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.58
Rot. Bonds7

About N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 114412947) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID114412947
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESC1=CCN(CCOc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H24N2O/c1-2-10-19(11-3-1)12-13-20-17-8-4-15(5-9-17)14-18-16-6-7-16/h1-2,4-5,8-9,16,18H,3,6-7,10-14H2
InChIKeyFCDHPBNIGGOMRG-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 114412981
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
2-[3-[4-[(cyclopropylamino)methyl]phenoxy]propyl]isoindole-1,3-dione
CID 118759856
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 114412947) is N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is C1=CCN(CCOc2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is FCDHPBNIGGOMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-10-19(11-3-1)12-13-20-17-8-4-15(5-9-17)14-18-16-6-7-16/h1-2,4-5,8-9,16,18H,3,6-7,10-14H2.
What are the key properties of N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 272.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114412947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).