4-(4-benzylphenoxy)-N-methylpentan-2-amine

C19H25NO — CID 64720908

IUPAC4-(4-benzylphenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(20-3)13-16(2)21-19-11-9-18(10-12-19)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyBPGIBGUERCYYRY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.04
Rot. Bonds7

About 4-(4-benzylphenoxy)-N-methylpentan-2-amine

4-(4-benzylphenoxy)-N-methylpentan-2-amine (PubChem CID 64720908) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(4-benzylphenoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(4-benzylphenoxy)-N-methylpentan-2-amine
PubChem CID64720908
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-(4-benzylphenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(20-3)13-16(2)21-19-11-9-18(10-12-19)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyBPGIBGUERCYYRY-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenoxy)-N-methylpentan-2-amine?
The IUPAC name of 4-(4-benzylphenoxy)-N-methylpentan-2-amine (CID 64720908) is 4-(4-benzylphenoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(4-benzylphenoxy)-N-methylpentan-2-amine?
The canonical SMILES for 4-(4-benzylphenoxy)-N-methylpentan-2-amine is CNC(C)CC(C)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-benzylphenoxy)-N-methylpentan-2-amine?
The InChIKey is BPGIBGUERCYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(20-3)13-16(2)21-19-11-9-18(10-12-19)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3.
What are the key properties of 4-(4-benzylphenoxy)-N-methylpentan-2-amine?
4-(4-benzylphenoxy)-N-methylpentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 64720908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).