2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine

C18H29NO — CID 116725506

IUPAC2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCOC(C(NC)C1CC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-6-20-17(18(2,3)4)16(19-5)15-12-14(15)13-10-8-7-9-11-13/h7-11,14-17,19H,6,12H2,1-5H3
InChIKeyWLPDGSMKDHXTBS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.83
Rot. Bonds6

About 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine

2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116725506) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116725506
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCOC(C(NC)C1CC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-6-20-17(18(2,3)4)16(19-5)15-12-14(15)13-10-8-7-9-11-13/h7-11,14-17,19H,6,12H2,1-5H3
InChIKeyWLPDGSMKDHXTBS-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116721385
2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116719956
2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine (CID 116725506) is 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine is CCOC(C(NC)C1CC1c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is WLPDGSMKDHXTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-20-17(18(2,3)4)16(19-5)15-12-14(15)13-10-8-7-9-11-13/h7-11,14-17,19H,6,12H2,1-5H3.
What are the key properties of 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116725506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).