N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine

C16H25NO — CID 80684297

IUPACN-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1(C)CCCCO1
InChIInChI=1S/C16H25NO/c1-16(12-6-7-13-18-16)15(17-2)11-10-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3
InChIKeyIZVYMVRDQQRYHH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine

N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine (PubChem CID 80684297) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
PubChem CID80684297
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1(C)CCCCO1
InChIInChI=1S/C16H25NO/c1-16(12-6-7-13-18-16)15(17-2)11-10-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3
InChIKeyIZVYMVRDQQRYHH-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951
[1-(2-methyloxolan-2-yl)-4-phenylbutyl]hydrazine
CID 105250664
4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
CID 114856674
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
[1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethyl]hydrazine
CID 105256213
N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
CID 80683840
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine
CID 80684750
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine (CID 80684297) is N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine is CNC(CCc1ccccc1)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine?
The InChIKey is IZVYMVRDQQRYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(12-6-7-13-18-16)15(17-2)11-10-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine?
N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 80684297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).