N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine

C18H29NO2 — CID 62906368

IUPACN-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC(C)C)cc1)C1CCOCC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-18(16-9-12-20-13-10-16)15-5-7-17(8-6-15)21-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3
InChIKeyVNYKMTIEFKDYDW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds7

About N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine

N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 62906368) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID62906368
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC(C)C)cc1)C1CCOCC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-18(16-9-12-20-13-10-16)15-5-7-17(8-6-15)21-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3
InChIKeyVNYKMTIEFKDYDW-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115567999

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine (CID 62906368) is N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC(C)C)cc1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is VNYKMTIEFKDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-18(16-9-12-20-13-10-16)15-5-7-17(8-6-15)21-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3.
What are the key properties of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine?
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62906368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).