N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine

C17H27NO — CID 105049374

IUPACN-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OCCC)c1)C1CCC1
InChIInChI=1S/C17H27NO/c1-3-11-18-17(14-7-5-8-14)15-9-6-10-16(13-15)19-12-4-2/h6,9-10,13-14,17-18H,3-5,7-8,11-12H2,1-2H3
InChIKeyKWDGIZKTSIVYDX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds8

About N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine

N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine (PubChem CID 105049374) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
PubChem CID105049374
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OCCC)c1)C1CCC1
InChIInChI=1S/C17H27NO/c1-3-11-18-17(14-7-5-8-14)15-9-6-10-16(13-15)19-12-4-2/h6,9-10,13-14,17-18H,3-5,7-8,11-12H2,1-2H3
InChIKeyKWDGIZKTSIVYDX-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[(3-bromo-4-propoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 104658099
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine (CID 105049374) is N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OCCC)c1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is KWDGIZKTSIVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-18-17(14-7-5-8-14)15-9-6-10-16(13-15)19-12-4-2/h6,9-10,13-14,17-18H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine?
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105049374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).