N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine

C17H27NO — CID 62456252

IUPACN-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCCCCOCc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H27NO/c1-2-3-4-5-11-19-14-16-8-6-7-15(12-16)13-18-17-9-10-17/h6-8,12,17-18H,2-5,9-11,13-14H2,1H3
InChIKeyZYBDTEOKWMTCFW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.04
Rot. Bonds10

About N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62456252) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID62456252
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCCCCOCc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H27NO/c1-2-3-4-5-11-19-14-16-8-6-7-15(12-16)13-18-17-9-10-17/h6-8,12,17-18H,2-5,9-11,13-14H2,1H3
InChIKeyZYBDTEOKWMTCFW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.04
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-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[[3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63492481
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine (CID 62456252) is N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine is CCCCCCOCc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is ZYBDTEOKWMTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-5-11-19-14-16-8-6-7-15(12-16)13-18-17-9-10-17/h6-8,12,17-18H,2-5,9-11,13-14H2,1H3.
What are the key properties of N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62456252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).