N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine

C17H27NO — CID 106206202

IUPACN-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCC2CCC2)c1
InChIInChI=1S/C17H27NO/c1-14(2)18-12-16-7-4-8-17(11-16)13-19-10-9-15-5-3-6-15/h4,7-8,11,14-15,18H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyLHZMBNANSLGSOV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds8

About N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine

N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 106206202) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID106206202
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCC2CCC2)c1
InChIInChI=1S/C17H27NO/c1-14(2)18-12-16-7-4-8-17(11-16)13-19-10-9-15-5-3-6-15/h4,7-8,11,14-15,18H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyLHZMBNANSLGSOV-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
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-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
CID 62460740
N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347703
N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 106206079
N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 62456237
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
CID 106206004
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106206080
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine (CID 106206202) is N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(COCCC2CCC2)c1.
What is the InChIKey of N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is LHZMBNANSLGSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)18-12-16-7-4-8-17(11-16)13-19-10-9-15-5-3-6-15/h4,7-8,11,14-15,18H,3,5-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine?
N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106206202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).