N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine

C17H27NO — CID 103285638

IUPACN-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCC(C)COCc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H27NO/c1-3-5-14(2)12-19-13-16-7-4-6-15(10-16)11-18-17-8-9-17/h4,6-7,10,14,17-18H,3,5,8-9,11-13H2,1-2H3
InChIKeyGBHVEOKBCWBAGE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds9

About N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 103285638) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID103285638
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCC(C)COCc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H27NO/c1-3-5-14(2)12-19-13-16-7-4-6-15(10-16)11-18-17-8-9-17/h4,6-7,10,14,17-18H,3,5,8-9,11-13H2,1-2H3
InChIKeyGBHVEOKBCWBAGE-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62443430
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine (CID 103285638) is N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine is CCCC(C)COCc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is GBHVEOKBCWBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-14(2)12-19-13-16-7-4-6-15(10-16)11-18-17-8-9-17/h4,6-7,10,14,17-18H,3,5,8-9,11-13H2,1-2H3.
What are the key properties of N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103285638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).