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

C18H29NO2 — CID 104660281

IUPACN-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCCC)C1CCOCC1
InChIInChI=1S/C18H29NO2/c1-3-11-19-18(15-9-13-20-14-10-15)16-7-5-6-8-17(16)21-12-4-2/h5-8,15,18-19H,3-4,9-14H2,1-2H3
InChIKeyXORGXMDYHPXDSZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds8

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

N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine (PubChem CID 104660281) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
PubChem CID104660281
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCCC)C1CCOCC1
InChIInChI=1S/C18H29NO2/c1-3-11-19-18(15-9-13-20-14-10-15)16-7-5-6-8-17(16)21-12-4-2/h5-8,15,18-19H,3-4,9-14H2,1-2H3
InChIKeyXORGXMDYHPXDSZ-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[(3-bromo-2-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855832
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059
N-[(2-bromo-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855854
N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
CID 105147197
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine (CID 104660281) is N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1OCCC)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is XORGXMDYHPXDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-11-19-18(15-9-13-20-14-10-15)16-7-5-6-8-17(16)21-12-4-2/h5-8,15,18-19H,3-4,9-14H2,1-2H3.
What are the key properties of N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine?
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 104660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).