1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine

C17H21NO — CID 39357787

IUPAC1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-14(2)19-17-10-6-9-16(11-17)13-18-12-15-7-4-3-5-8-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyGMFWDAXLAJXTNA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.76
Rot. Bonds6

About 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine

1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine (PubChem CID 39357787) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
PubChem CID39357787
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-14(2)19-17-10-6-9-16(11-17)13-18-12-15-7-4-3-5-8-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyGMFWDAXLAJXTNA-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
3-methylsulfanyl-N-[(3-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115604278
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 61211880
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine (CID 39357787) is 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine is CC(C)Oc1cccc(CNCc2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine?
The InChIKey is GMFWDAXLAJXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(2)19-17-10-6-9-16(11-17)13-18-12-15-7-4-3-5-8-15/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine?
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 39357787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).