N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine

C18H27NO — CID 43100411

IUPACN-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C18H27NO/c1-12(2)20-17-10-8-14(9-11-17)13(3)19-18(15-4-5-15)16-6-7-16/h8-13,15-16,18-19H,4-7H2,1-3H3
InChIKeyIBLMYSMDSLSZJG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.31
Rot. Bonds7

About N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine

N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 43100411) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID43100411
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C18H27NO/c1-12(2)20-17-10-8-14(9-11-17)13(3)19-18(15-4-5-15)16-6-7-16/h8-13,15-16,18-19H,4-7H2,1-3H3
InChIKeyIBLMYSMDSLSZJG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 60972184
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
CID 115352442
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 43100411) is N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is IBLMYSMDSLSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12(2)20-17-10-8-14(9-11-17)13(3)19-18(15-4-5-15)16-6-7-16/h8-13,15-16,18-19H,4-7H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43100411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).