N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine

C16H25NO — CID 62450085

IUPACN-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCCCOCc1ccccc1CNC1CC1
InChIInChI=1S/C16H25NO/c1-2-3-6-11-18-13-15-8-5-4-7-14(15)12-17-16-9-10-16/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3
InChIKeyDWGKHJGXOJHQLD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.65
Rot. Bonds9

About N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine

N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62450085) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID62450085
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCCCOCc1ccccc1CNC1CC1
InChIInChI=1S/C16H25NO/c1-2-3-6-11-18-13-15-8-5-4-7-14(15)12-17-16-9-10-16/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3
InChIKeyDWGKHJGXOJHQLD-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461
N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125367

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine (CID 62450085) is N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine is CCCCCOCc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is DWGKHJGXOJHQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-6-11-18-13-15-8-5-4-7-14(15)12-17-16-9-10-16/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3.
What are the key properties of N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62450085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).