N-ethyl-3-methyl-1,2-diphenylpentan-1-amine

C20H27N — CID 43489095

IUPACN-ethyl-3-methyl-1,2-diphenylpentan-1-amine
SMILESCCNC(c1ccccc1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C20H27N/c1-4-16(3)19(17-12-8-6-9-13-17)20(21-5-2)18-14-10-7-11-15-18/h6-16,19-21H,4-5H2,1-3H3
InChIKeyILZHRVQXXCHEKB-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.17
Rot. Bonds7

About N-ethyl-3-methyl-1,2-diphenylpentan-1-amine

N-ethyl-3-methyl-1,2-diphenylpentan-1-amine (PubChem CID 43489095) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-1,2-diphenylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1,2-diphenylpentan-1-amine
PubChem CID43489095
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-3-methyl-1,2-diphenylpentan-1-amine
SMILESCCNC(c1ccccc1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C20H27N/c1-4-16(3)19(17-12-8-6-9-13-17)20(21-5-2)18-14-10-7-11-15-18/h6-16,19-21H,4-5H2,1-3H3
InChIKeyILZHRVQXXCHEKB-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10837600
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
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CID 64612976
N-ethyl-2-methyl-1-phenylundecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1,2-diphenylpentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1,2-diphenylpentan-1-amine (CID 43489095) is N-ethyl-3-methyl-1,2-diphenylpentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1,2-diphenylpentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1,2-diphenylpentan-1-amine is CCNC(c1ccccc1)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-3-methyl-1,2-diphenylpentan-1-amine?
The InChIKey is ILZHRVQXXCHEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-16(3)19(17-12-8-6-9-13-17)20(21-5-2)18-14-10-7-11-15-18/h6-16,19-21H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1,2-diphenylpentan-1-amine?
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1,2-diphenylpentan-1-amine is sourced from PubChem (CID 43489095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).