N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine

C19H25NO — CID 54797306

IUPACN-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCC(C)CCOc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-16(2)11-12-21-19-10-6-9-18(13-19)15-20-14-17-7-4-3-5-8-17/h3-10,13,16,20H,11-12,14-15H2,1-2H3
InChIKeySRHWZDCUGNDZKV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.40
Rot. Bonds8

About N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine

N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 54797306) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID54797306
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCC(C)CCOc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-16(2)11-12-21-19-10-6-9-18(13-19)15-20-14-17-7-4-3-5-8-17/h3-10,13,16,20H,11-12,14-15H2,1-2H3
InChIKeySRHWZDCUGNDZKV-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-(4-tert-butylphenyl)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54804575
4-fluoro-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796497
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine (CID 54797306) is N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine is CC(C)CCOc1cccc(CNCc2ccccc2)c1.
What is the InChIKey of N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is SRHWZDCUGNDZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)11-12-21-19-10-6-9-18(13-19)15-20-14-17-7-4-3-5-8-17/h3-10,13,16,20H,11-12,14-15H2,1-2H3.
What are the key properties of N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 54797306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).