1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine

C19H31NO2 — CID 54805012

IUPAC1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
SMILESCCCCOc1ccc(CNCC2CC2)c(OCCCC)c1
InChIInChI=1S/C19H31NO2/c1-3-5-11-21-18-10-9-17(15-20-14-16-7-8-16)19(13-18)22-12-6-4-2/h9-10,13,16,20H,3-8,11-12,14-15H2,1-2H3
InChIKeyIZPPRWPOWRTXPS-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.54
Rot. Bonds12

About 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine

1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine (PubChem CID 54805012) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
PubChem CID54805012
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
SMILESCCCCOc1ccc(CNCC2CC2)c(OCCCC)c1
InChIInChI=1S/C19H31NO2/c1-3-5-11-21-18-10-9-17(15-20-14-16-7-8-16)19(13-18)22-12-6-4-2/h9-10,13,16,20H,3-8,11-12,14-15H2,1-2H3
InChIKeyIZPPRWPOWRTXPS-UHFFFAOYSA-N
XLogP4.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
methyl 2-[[2,4-di(docosoxy)phenyl]methylamino]acetate
CID 71604456
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
(2,4-dipentoxyphenyl)methanol
CID 54794877
N-[(2,4-dihexoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803885
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine (CID 54805012) is 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine is CCCCOc1ccc(CNCC2CC2)c(OCCCC)c1.
What is the InChIKey of 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine?
The InChIKey is IZPPRWPOWRTXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-5-11-21-18-10-9-17(15-20-14-16-7-8-16)19(13-18)22-12-6-4-2/h9-10,13,16,20H,3-8,11-12,14-15H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine?
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine has a molecular weight of 305.46 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine is sourced from PubChem (CID 54805012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).