N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine

C19H31NO — CID 103285688

IUPACN-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
SMILESCCCC(C)COCc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C19H31NO/c1-4-5-15(2)13-21-14-17-6-8-18(9-7-17)16(3)12-20-19-10-11-19/h6-9,15-16,19-20H,4-5,10-14H2,1-3H3
InChIKeyVTWNTRNNKJLBRX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds10

About N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine

N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine (PubChem CID 103285688) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
PubChem CID103285688
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
SMILESCCCC(C)COCc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C19H31NO/c1-4-5-15(2)13-21-14-17-6-8-18(9-7-17)16(3)12-20-19-10-11-19/h6-9,15-16,19-20H,4-5,10-14H2,1-3H3
InChIKeyVTWNTRNNKJLBRX-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
CID 106205781
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine (CID 103285688) is N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine is CCCC(C)COCc1ccc(C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine?
The InChIKey is VTWNTRNNKJLBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-5-15(2)13-21-14-17-6-8-18(9-7-17)16(3)12-20-19-10-11-19/h6-9,15-16,19-20H,4-5,10-14H2,1-3H3.
What are the key properties of N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine?
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 103285688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).