N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine

C19H29NO — CID 105018978

IUPACN-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC(C)C)c1)C1C2CCCC21
InChIInChI=1S/C19H29NO/c1-4-11-20-19(18-16-9-6-10-17(16)18)14-7-5-8-15(12-14)21-13(2)3/h5,7-8,12-13,16-20H,4,6,9-11H2,1-3H3
InChIKeyWYXHYRSEYAAPMF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.56
Rot. Bonds7

About N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine

N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 105018978) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID105018978
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC(C)C)c1)C1C2CCCC21
InChIInChI=1S/C19H29NO/c1-4-11-20-19(18-16-9-6-10-17(16)18)14-7-5-8-15(12-14)21-13(2)3/h5,7-8,12-13,16-20H,4,6,9-11H2,1-3H3
InChIKeyWYXHYRSEYAAPMF-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 104995268
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[[3-(difluoromethoxy)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 107139119
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022201
N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 107190280
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine (CID 105018978) is N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC(C)C)c1)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is WYXHYRSEYAAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-11-20-19(18-16-9-6-10-17(16)18)14-7-5-8-15(12-14)21-13(2)3/h5,7-8,12-13,16-20H,4,6,9-11H2,1-3H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine?
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105018978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).