2-(3-methylbutoxy)-1,2-diphenylethanamine

C19H25NO — CID 43104834

IUPAC2-(3-methylbutoxy)-1,2-diphenylethanamine
SMILESCC(C)CCOC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)13-14-21-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h3-12,15,18-19H,13-14,20H2,1-2H3
InChIKeyDSYDMRPWUSTBMQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.49
Rot. Bonds7

About 2-(3-methylbutoxy)-1,2-diphenylethanamine

2-(3-methylbutoxy)-1,2-diphenylethanamine (PubChem CID 43104834) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1,2-diphenylethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1,2-diphenylethanamine
PubChem CID43104834
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(3-methylbutoxy)-1,2-diphenylethanamine
SMILESCC(C)CCOC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)13-14-21-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h3-12,15,18-19H,13-14,20H2,1-2H3
InChIKeyDSYDMRPWUSTBMQ-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
CID 124500369
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine
CID 43183851
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
3-(3-methylbutoxy)-3-phenylpropanenitrile
CID 115001730
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1,2-diphenylethanamine?
The IUPAC name of 2-(3-methylbutoxy)-1,2-diphenylethanamine (CID 43104834) is 2-(3-methylbutoxy)-1,2-diphenylethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-1,2-diphenylethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-1,2-diphenylethanamine is CC(C)CCOC(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 2-(3-methylbutoxy)-1,2-diphenylethanamine?
The InChIKey is DSYDMRPWUSTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)13-14-21-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h3-12,15,18-19H,13-14,20H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-1,2-diphenylethanamine?
2-(3-methylbutoxy)-1,2-diphenylethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1,2-diphenylethanamine is sourced from PubChem (CID 43104834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).