N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine

C18H29NO — CID 79446507

IUPACN-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine
SMILESCCNC(C(C)CC)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H29NO/c1-4-15(3)17(19-5-2)18(11-13-20-14-12-18)16-9-7-6-8-10-16/h6-10,15,17,19H,4-5,11-14H2,1-3H3
InChIKeyWQGRYZIXEUDMJX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine

N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine (PubChem CID 79446507) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine
PubChem CID79446507
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine
SMILESCCNC(C(C)CC)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H29NO/c1-4-15(3)17(19-5-2)18(11-13-20-14-12-18)16-9-7-6-8-10-16/h6-10,15,17,19H,4-5,11-14H2,1-3H3
InChIKeyWQGRYZIXEUDMJX-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-phenyloxan-4-yl)-2-propoxyethanamine
CID 79578097
2-ethoxy-1-(4-phenyloxan-4-yl)ethanamine
CID 79575662
2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol
CID 107892891
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N,2-dimethyl-1-(1-phenylcyclopropyl)pentan-1-amine
CID 114013571
2-methoxy-1-(4-phenyloxan-4-yl)ethanol
CID 79566371
N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
CID 63083756
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine
CID 63417923
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
CID 63083238
[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine
CID 105217641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine (CID 79446507) is N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine is CCNC(C(C)CC)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine?
The InChIKey is WQGRYZIXEUDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15(3)17(19-5-2)18(11-13-20-14-12-18)16-9-7-6-8-10-16/h6-10,15,17,19H,4-5,11-14H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine?
N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine is sourced from PubChem (CID 79446507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).