N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine

C16H26N2O2 — CID 114524710

IUPACN-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1OCCCN(C)C
InChIInChI=1S/C16H26N2O2/c1-18(2)9-4-10-20-16-11-13(5-8-15(16)19-3)12-17-14-6-7-14/h5,8,11,14,17H,4,6-7,9-10,12H2,1-3H3
InChIKeyDRBFNGNSWSTROR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds9

About N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine

N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 114524710) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
PubChem CID114524710
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1OCCCN(C)C
InChIInChI=1S/C16H26N2O2/c1-18(2)9-4-10-20-16-11-13(5-8-15(16)19-3)12-17-14-6-7-14/h5,8,11,14,17H,4,6-7,9-10,12H2,1-3H3
InChIKeyDRBFNGNSWSTROR-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
N-[[3-[2-(dimethylamino)ethoxy]-4-nitrophenyl]methyl]cyclopropanamine
CID 62115529
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017224
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine (CID 114524710) is N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine is COc1ccc(CNC2CC2)cc1OCCCN(C)C.
What is the InChIKey of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is DRBFNGNSWSTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(2)9-4-10-20-16-11-13(5-8-15(16)19-3)12-17-14-6-7-14/h5,8,11,14,17H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine?
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114524710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).