N-[(4-octoxyphenyl)methyl]cyclopropanamine

C18H29NO — CID 43213779

IUPACN-[(4-octoxyphenyl)methyl]cyclopropanamine
SMILESCCCCCCCCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-14-20-18-12-8-16(9-13-18)15-19-17-10-11-17/h8-9,12-13,17,19H,2-7,10-11,14-15H2,1H3
InChIKeyBJDUZPPNVBPQLL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.68
Rot. Bonds11

About N-[(4-octoxyphenyl)methyl]cyclopropanamine

N-[(4-octoxyphenyl)methyl]cyclopropanamine (PubChem CID 43213779) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(4-octoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-octoxyphenyl)methyl]cyclopropanamine
PubChem CID43213779
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(4-octoxyphenyl)methyl]cyclopropanamine
SMILESCCCCCCCCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-14-20-18-12-8-16(9-13-18)15-19-17-10-11-17/h8-9,12-13,17,19H,2-7,10-11,14-15H2,1H3
InChIKeyBJDUZPPNVBPQLL-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.68
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-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
CID 86843151
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
N-[(4-butoxyphenyl)methyl]-3,3-difluorocyclobutan-1-amine
CID 167311863
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
CID 63462119
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623

Frequently Asked Questions

What is the IUPAC name of N-[(4-octoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-octoxyphenyl)methyl]cyclopropanamine (CID 43213779) is N-[(4-octoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-octoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-octoxyphenyl)methyl]cyclopropanamine is CCCCCCCCOc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[(4-octoxyphenyl)methyl]cyclopropanamine?
The InChIKey is BJDUZPPNVBPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-5-6-7-14-20-18-12-8-16(9-13-18)15-19-17-10-11-17/h8-9,12-13,17,19H,2-7,10-11,14-15H2,1H3.
What are the key properties of N-[(4-octoxyphenyl)methyl]cyclopropanamine?
N-[(4-octoxyphenyl)methyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-octoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43213779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).