N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine

C18H29NO2 — CID 63012897

IUPACN-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)C1CCCOC1
InChIInChI=1S/C18H29NO2/c1-3-11-19-18(17-5-4-12-21-14-17)16-8-6-15(7-9-16)10-13-20-2/h6-9,17-19H,3-5,10-14H2,1-2H3
InChIKeyHFMMHSZWPIOFOH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds8

About N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine

N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 63012897) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
PubChem CID63012897
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)C1CCCOC1
InChIInChI=1S/C18H29NO2/c1-3-11-19-18(17-5-4-12-21-14-17)16-8-6-15(7-9-16)10-13-20-2/h6-9,17-19H,3-5,10-14H2,1-2H3
InChIKeyHFMMHSZWPIOFOH-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[(4-chloro-3-fluorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107996097
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
N-[[4-(2-methoxyethyl)phenyl]-(oxolan-2-yl)methyl]ethanamine
CID 43489770
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[[3-(difluoromethoxy)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 107139119
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine (CID 63012897) is N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(CCOC)cc1)C1CCCOC1.
What is the InChIKey of N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is HFMMHSZWPIOFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-11-19-18(17-5-4-12-21-14-17)16-8-6-15(7-9-16)10-13-20-2/h6-9,17-19H,3-5,10-14H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine?
N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63012897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).