N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine

C15H23NO — CID 103742213

IUPACN-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
SMILESCC(NCC1(C)CCOCC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(14-6-4-3-5-7-14)16-12-15(2)8-10-17-11-9-15/h3-7,13,16H,8-12H2,1-2H3
InChIKeyDQRNJWKFSRKNDN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine

N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine (PubChem CID 103742213) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
PubChem CID103742213
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
SMILESCC(NCC1(C)CCOCC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(14-6-4-3-5-7-14)16-12-15(2)8-10-17-11-9-15/h3-7,13,16H,8-12H2,1-2H3
InChIKeyDQRNJWKFSRKNDN-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
CID 103911353
1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903380
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
N-[(4-methyloxan-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103903337
1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903386
N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
CID 103903365
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903366
N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103903352
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 107093854
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine (CID 103742213) is N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine is CC(NCC1(C)CCOCC1)c1ccccc1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine?
The InChIKey is DQRNJWKFSRKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(14-6-4-3-5-7-14)16-12-15(2)8-10-17-11-9-15/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine?
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 103742213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).