1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine

C17H27NO — CID 54805002

IUPAC1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
SMILESCCCCCCOc1ccccc1CNCC1CC1
InChIInChI=1S/C17H27NO/c1-2-3-4-7-12-19-17-9-6-5-8-16(17)14-18-13-15-10-11-15/h5-6,8-9,15,18H,2-4,7,10-14H2,1H3
InChIKeyLEBZEWGEAOMKBB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds10

About 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine

1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine (PubChem CID 54805002) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
PubChem CID54805002
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
SMILESCCCCCCOc1ccccc1CNCC1CC1
InChIInChI=1S/C17H27NO/c1-2-3-4-7-12-19-17-9-6-5-8-16(17)14-18-13-15-10-11-15/h5-6,8-9,15,18H,2-4,7,10-14H2,1H3
InChIKeyLEBZEWGEAOMKBB-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine (CID 54805002) is 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine is CCCCCCOc1ccccc1CNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine?
The InChIKey is LEBZEWGEAOMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-7-12-19-17-9-6-5-8-16(17)14-18-13-15-10-11-15/h5-6,8-9,15,18H,2-4,7,10-14H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine?
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine is sourced from PubChem (CID 54805002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).