3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine

C24H43NO2 — CID 151322746

IUPAC3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine
SMILESCCCCCCCCC(CCN)C(OC(C)C)(OC(C)C)c1ccccc1
InChIInChI=1S/C24H43NO2/c1-6-7-8-9-10-12-17-23(18-19-25)24(26-20(2)3,27-21(4)5)22-15-13-11-14-16-22/h11,13-16,20-21,23H,6-10,12,17-19,25H2,1-5H3
InChIKeyOGUOZACWJSLULS-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.41
Rot. Bonds15

About 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine

3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine (PubChem CID 151322746) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine.

Molecular Properties

Compound Name3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine
PubChem CID151322746
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine
SMILESCCCCCCCCC(CCN)C(OC(C)C)(OC(C)C)c1ccccc1
InChIInChI=1S/C24H43NO2/c1-6-7-8-9-10-12-17-23(18-19-25)24(26-20(2)3,27-21(4)5)22-15-13-11-14-16-22/h11,13-16,20-21,23H,6-10,12,17-19,25H2,1-5H3
InChIKeyOGUOZACWJSLULS-UHFFFAOYSA-N
XLogP6.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(3-ethyl-2-methylnonan-2-yl)benzene
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7-butyl-9-ethyl-8-phenylhexadecan-8-amine
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4-[phenyl(dipropoxy)methyl]dodecanoic acid
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CID 158531120
(1,1,1-trifluoro-3-octyl-2-phenyltridecan-2-yl)benzene
CID 151544877
2-methyl-2-phenylnonan-3-amine
CID 63420123
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
3-ethyl-3-phenyltricosan-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine?
The IUPAC name of 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine (CID 151322746) is 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine.
What is the SMILES notation for 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine?
The canonical SMILES for 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine is CCCCCCCCC(CCN)C(OC(C)C)(OC(C)C)c1ccccc1.
What is the InChIKey of 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine?
The InChIKey is OGUOZACWJSLULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-6-7-8-9-10-12-17-23(18-19-25)24(26-20(2)3,27-21(4)5)22-15-13-11-14-16-22/h11,13-16,20-21,23H,6-10,12,17-19,25H2,1-5H3.
What are the key properties of 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine?
3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine has a molecular weight of 377.61 g/mol, XLogP of 6.41, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine is sourced from PubChem (CID 151322746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).