N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine

C19H33NO — CID 63832362

IUPACN-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-8-20-18(13-15(4)19(5,6)7)16-9-11-17(12-10-16)21-14(2)3/h9-12,14-15,18,20H,8,13H2,1-7H3
InChIKeyOLNRMHGUAPXZQI-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.20
Rot. Bonds7

About N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine

N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 63832362) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID63832362
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-8-20-18(13-15(4)19(5,6)7)16-9-11-17(12-10-16)21-14(2)3/h9-12,14-15,18,20H,8,13H2,1-7H3
InChIKeyOLNRMHGUAPXZQI-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine (CID 63832362) is N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine is CCNC(CC(C)C(C)(C)C)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is OLNRMHGUAPXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-20-18(13-15(4)19(5,6)7)16-9-11-17(12-10-16)21-14(2)3/h9-12,14-15,18,20H,8,13H2,1-7H3.
What are the key properties of N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine?
N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 63832362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).